SCHEMBL695690

SCHEMBL695690

[CH]=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CA1 P00915 2/20 0.46
MGLL Q99685 2/20 0.46
TP53 P04637 1/20 0.46
TAAR1 Q96RJ0 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
HDAC2 Q92769 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CA2 P00918 1/20 0.39
KIF11 P52732 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19617 0.82
SCHEMBL1480536 0.82 LTA4H (0.50) ALDH1A1CA1LMNACA2L3MBTL1
SCHEMBL2363317 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6546430 0.78 MAOB (0.56) HDAC1
SCHEMBL6546428 0.78 MAOB (0.56) HDAC1
SCHEMBL2839493 0.77 ALDH1A1 (0.56) ALDH1A1CA1MGLLTP53TAAR1
SCHEMBL76158 0.77 CA1 (0.62) ALDH1A1CA1MGLLTP53TAAR1
SCHEMBL9171323 0.77 CA1 (0.62) ALDH1A1CA1MGLLTP53TAAR1
SCHEMBL76159 0.77 CA1 (0.62) ALDH1A1CA1MGLLTP53TAAR1
Tannin Pyrogallol SCHEMBL21448 0.74 ALDH1A1 (0.90) ALDH1A1CA1MGLLTAAR1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021215836-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING EYE DISEASES COMPRISING VERBENONE DERIVATIVE 신풍제약주식회사 (KR) 2021-10-28 WO claimed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US claimed
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-18 US claimed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US claimed
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US claimed
JP-2006518738-A 2006-08-17 JP claimed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP claimed
CN-1747936-A Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA INC (US) 2006-03-15 CN claimed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP claimed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO claimed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US claimed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO claimed
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP claimed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US claimed
EP-1257265-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-11-20 EP claimed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO claimed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO claimed
EP-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP claimed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO claimed
WO-2021215836-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING EYE DISEASES COMPRISING VERBENONE DERIVATIVE 신풍제약주식회사 (KR) 2021-10-28 WO disclosed
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP disclosed
CN-102548983-B Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2014-09-17 CN disclosed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US disclosed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-18 US disclosed
CN-103052645-A Functionalized polyhedral octavinylsilsesquioxanes UNIV ADAM MICKIEWICZ 2013-04-17 CN disclosed
US-8415341-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US disclosed
CN-102548983-A Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-07-04 CN disclosed
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
US-7851119-B2 Electrophotographic photoconductor, method for producing the same, image forming process, image forming apparatus and process cartridge RICOH COMPANY, LTD. (JP) 2010-12-14 US disclosed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
US-20080063962-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR, METHOD FOR PRODUCING THE SAME, IMAGE FORMING PROCESS, IMAGE FORMING APPARATUS AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2008-03-13 US disclosed
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US disclosed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP disclosed
CN-1747936-A Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA INC (US) 2006-03-15 CN disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO disclosed
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP disclosed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US disclosed
EP-1257265-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-11-20 EP disclosed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO disclosed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO disclosed
EP-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP disclosed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO disclosed
US-5770608-A ANTICHOLESTEROL AGENTS FOR TREATING CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-06-23 US disclosed
US-5770608-A ANTICHOLESTEROL AGENTS FOR TREATING CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-06-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC ALDH1A1 662/4885CA1 4879/4885MGLL 1/4885
US-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ ALDH1A1 710/4885CA1 1363/4885MGLL 3347/4885
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections HRH2, ASPH, NQO2 ALDH1A1 1419/4885CA1 4387/4885MGLL 463/4885
US-20070099958-A1 Protease inhibitors CTSC, DPP7, BACE1 ALDH1A1 3738/4885CA1 1184/4885MGLL 2729/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC ALDH1A1 662/4885CA1 4879/4885MGLL 1/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ ALDH1A1 710/4885CA1 1363/4885MGLL 3347/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.