SCHEMBL339374

SCHEMBL339374

COc1c[c]ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.53
ADRA1D P25100 5/20 0.53
ADRA1A P35348 5/20 0.53
ADRA1B P35368 5/20 0.53
APP P05067 1/20 0.50
RXRA P19793 1/20 0.49
ATM Q13315 1/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL182637 0.93 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BAPP
SCHEMBL183414 0.90 MAPT (0.48) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL342502 0.85 HTR1A (0.55) HTR1AADRA1DADRA1AADRA1BATM
SCHEMBL3138119 0.84 RAB9A (0.54) HTR1AADRA1DADRA1AADRA1BAPP
SCHEMBL1224802 0.84 PLK1 (0.47) HTR1AADRA1DADRA1AADRA1BAPP
SCHEMBL18707424 0.84 APP (0.47) HTR1AADRA1DADRA1AADRA1BAPP
SCHEMBL1616224 0.83 MAPT (0.55) HTR1AADRA1DADRA1AADRA1BRXRA
SCHEMBL1616139 0.83 MAPT (0.55) HTR1AADRA1DADRA1AADRA1BRXRA
SCHEMBL27934804 0.83 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL27522438 0.83 TDP1 (0.44) HTR1AADRA1DADRA1AADRA1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110563602-A rosmarinic acid derivatives, and preparation method and application thereof 南宁多灵生物科技有限公司 2019-12-13 CN claimed
US-20160279102-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2016-09-29 US claimed
US-20150157608-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2015-06-11 US claimed
US-20140005194-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS MEI PHARMA, INC. (US) 2014-01-02 US claimed
US-8551988-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2013-10-08 US claimed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US claimed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP claimed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO claimed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US claimed
WO-2010132615-A1 HYDRAZONE COMPOUNDS AND THEIR USE STEIN PHILIP (US) 2010-11-18 WO claimed
WO-2001058875-A2 SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES Grünenthal GmbH (DE) 2001-08-16 WO claimed
US-20010008901-A1 Nitrile derivatives that inhibit cathepsin K F. HOFFMANN-LA ROCHE AG (CH) 2001-07-19 US claimed
WO-2001047886-A1 NITRILE DERIVATIVES AS CATHEPSIN K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-07-05 WO claimed
EP-1107760-A2 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) VERNALIS RESEARCH LIMITED (GB) 2001-06-20 EP claimed
EP-1005338-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 2000-06-07 EP claimed
WO-2000013681-A2 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) VERNALIS RESEARCH LIMITED (GB) 2000-03-16 WO claimed
WO-1999004789-A1 SUBSTITUTED AURONE DERIVATIVES PHYTERA, INC. (US) 1999-02-04 WO claimed
US-5783577-A COMBINATORIAL LIBRARY FOR DRUG SCREENING TREGA BIOSCIENCES, INC. (US) 1998-07-21 US claimed
WO-1998011438-A1 SYNTHESIS OF QUINAZOLINONE LIBRARIES AND DERIVATIVES THEREOF TREGA BIOSCIENCES, INC. (US) 1998-03-19 WO claimed
US-5231105-A Ethylamine derivatives and antihypertensives containing the same AJINOMOTO CO., INC. (JP) 1993-07-27 US claimed

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

For each of this compound's patents that has machine-readable text (5 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-20140005194-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 HTR1A 2331/4885ADRA1D 4203/4885ADRA1A 4205/4885
US-20160279102-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 HTR1A 2331/4885ADRA1D 4203/4885ADRA1A 4205/4885
US-20150157608-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 HTR1A 2331/4885ADRA1D 4203/4885ADRA1A 4205/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 HTR1A 2738/4885ADRA1D 2541/4885ADRA1A 1335/4885
US-20010008901-A1 Nitrile derivatives that inhibit cathepsin K CTSK, CTSH, CTSS HTR1A 4098/4885ADRA1D 287/4885ADRA1A 325/4885

“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.