SCHEMBL687572

SCHEMBL687572

CCCOc1c[c]ccc1OCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 2/20 0.37
CSNK2A1 P68400 2/20 0.36
TLR8 Q9NR97 1/20 0.34
MCHR1 Q99705 1/20 0.34
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL21268352 0.94 CYP1A2 (0.42) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL6200525 0.94 L3MBTL1 (0.41) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL2457306 0.91 HTT (0.35) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL542448 0.90 KDM4E (0.40) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL314353 0.90 KDM4E (0.37) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL677792 0.90 CYP1A2 (0.44) GAATLR8MCHR1CYP1A2CYP2C9
SCHEMBL2457214 0.89 KDM4E (0.36) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL677544 0.88 MEN1 (0.39) MAPTALDH1A1MEN1TP53KMT2A
SCHEMBL3458097 0.86 NR5A1 (0.42) MAPTALDH1A1MEN1TP53KMT2A
SCHEMBL7111290 0.86 NR5A1 (0.42) MAPTALDH1A1MEN1TP53KMT2A

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
EP-3018118-B1 BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2023-07-05 EP disclosed
US-10428014-B2 Base generator, base-reactive composition containing said base generator, and base generation method FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-01 US disclosed
EP-3018118-A1 BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD Wako Pure Chemical Industries, Ltd. (JP) 2016-05-11 EP disclosed
US-20160122292-A1 BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2016-05-05 US disclosed
CN-103319344-B 1,1-diacetate synthesis catalyzed by sulfonated cage-type mesoporous carbon UNIV SHAANXI NORMAL 2015-05-20 CN disclosed
CN-102816130-B Thiazole compound and use thereof OTSUKA PHARMA CO LTD 2015-05-06 CN disclosed
US-8450352-B2 Thiazole compounds and their use for inhibiting phosphodiesterase 4, TNF-α, and IL-4 OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-28 US disclosed
CN-102816130-A Thiazole Compound and Use Thereof OTSUKA PHARMA CO LTD 2012-12-12 CN disclosed
US-5219937-A In presence of phosphite ALLIEDSIGNAL INC. (US) 1993-06-15 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed
EP-0504280-A1 PROCESS FOR PREPARING GRAFT AND BLOCK COPOLYMERS OF POLYPHENYLENE OXIDES AND POLYESTERS. ALLIED SIGNAL INC (US) 1992-09-23 EP disclosed
US-5124411-A Using phosphit catalyst ALLIED-SIGNAL, INC. (US) 1992-06-23 US disclosed
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
WO-1991008250-A1 PROCESS FOR PREPARING GRAFT AND BLOCK COPOLYMERS OF POLYPHENYLENE OXIDES AND POLYESTERS ALLIED-SIGNAL INC. (US) 1991-06-13 WO disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
CN-88101588-A Preparation 1, the method for 4-disubstituted piperazines compounds 1988-11-23 CN disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP 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 (4 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 MAPT 2337/4885KDM4E 1279/4885ALDH1A1 4486/4885
US-10428014-B2 Base generator, base-reactive composition containing said base generator, and base generation method HPRT1, GNG2, BLM MAPT 3886/4885KDM4E 4767/4885ALDH1A1 1468/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 MAPT 3500/4885KDM4E 1476/4885ALDH1A1 4111/4885
US-20160122292-A1 BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD GNG2, EPHX2, ARHGEF1 MAPT 4682/4885KDM4E 3737/4885ALDH1A1 483/4885

“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.