SCHEMBL13596372

SCHEMBL13596372

COc1cc(OC)c(C(=O)O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 2/20 0.56
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55
HSD17B10 Q99714 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP3A4 P08684 1/20 0.47
MYC P01106 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA3 P07451 1/20 0.44
PKM P14618 1/20 0.44
CA5A P35218 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
SCHEMBL6704966 0.92 LCK (0.60) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL2139729 0.88 LCK (0.50) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL12444067 0.87 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL29765241 0.85 LCK (0.73) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL347214 0.85 LCK (0.73) ALDH1A1KDM4EHPGDLCKFYN
Hydrochloric Acid SCHEMBL28599506 0.85 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL2830233 0.84 LCK (0.72) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL27476490 0.84 HTT (0.53) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL22691985 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL22116610 0.84 LCK (0.67) ALDH1A1KDM4EHPGDLCKFYN

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107667088-B Novel benzoic acid amide compound 株式会社爱茉莉太平洋 2020-04-24 CN disclosed
EP-3279184-B1 NOVEL BENZOIC ACID AMIDE COMPOUND AMOREPACIFIC CORP (KR) 2019-10-09 EP disclosed
US-10385011-B2 Benzoic acid amide compound AMOREPACIFIC CORPORATION (KR) 2019-08-20 US disclosed
US-20180065922-A1 NOVEL BENZOIC ACID AMIDE COMPOUND AMOREPACIFIC CORPORATION (KR) 2018-03-08 US disclosed
EP-3279184-A1 NOVEL BENZOIC ACID AMIDE COMPOUND Amorepacific Corporation (KR) 2018-02-07 EP disclosed
CN-107667088-A NOVEL BENZOIC ACID AMIDE COMPOUND 株式会社爱茉莉太平洋 2018-02-06 CN disclosed
US-20150299104-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2015-10-22 US disclosed
US-20130310595-A1 Method for Producing 4-Oxoquinoline Compound JAPAN TOBACCO INC. (JP) 2013-11-21 US disclosed
US-8420821-B2 Process for production of 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-04-16 US disclosed
US-8383819-B2 Method for producing 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-02-26 US disclosed
US-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-12-24 US disclosed
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-02-05 US disclosed
US-7429616-B2 Synthesis and complete stereochemical assignment of psymberin/irciniastatin for use as antitumor compounds BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2008-09-30 US disclosed
WO-2007011629-A2 SYNTHESIS AND COMPLETE STEREOCHEMICAL ASSIGNMENT OF PSYMBERIN/IRCINIASTATIN FOR ANTI-TUMOR USE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2007-01-25 WO disclosed
US-20070015821-A1 Synthesis and complete stereochemical assignment of psymberin/irciniastatin for use as antitumor compounds BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2007-01-18 US disclosed
US-20070015821-A1 Synthesis and complete stereochemical assignment of psymberin/irciniastatin for use as antitumor compounds BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2007-01-18 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 (7 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-20180065922-A1 NOVEL BENZOIC ACID AMIDE COMPOUND TYR, MITF, NAT1 ALDH1A1 176/4885KDM4E 799/4885HPGD 632/4885
US-20150299104-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND IMPDH1, IMPDH2, CDK20 ALDH1A1 2769/4885KDM4E 780/4885HPGD 2058/4885
US-20130310595-A1 Method for Producing 4-Oxoquinoline Compound IMPDH1, IMPDH2, CDK20 ALDH1A1 2769/4885KDM4E 780/4885HPGD 2058/4885
US-20070015821-A1 Synthesis and complete stereochemical assignment of psymberin/irciniastatin for use as antitumor compounds HCCS, RPS24, RPS27 ALDH1A1 3015/4885KDM4E 4248/4885HPGD 1564/4885
US-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND CYP4X1, CYP3A4, CYP3A7 ALDH1A1 1354/4885KDM4E 645/4885HPGD 1336/4885
US-10385011-B2 Benzoic acid amide compound TYR, MITF, NAT1 ALDH1A1 201/4885KDM4E 796/4885HPGD 571/4885
US-20090036684-A1 METHOD FOR PRODUCING 4-OXOQUINOLINE COMPOUND IMPDH1, IMPDH2, CDK20 ALDH1A1 2769/4885KDM4E 780/4885HPGD 2058/4885

“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.