SCHEMBL178096

SCHEMBL178096

COc1ccc2cc(C(=O)O)oc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
KDM4E B2RXH2 6/20 0.66
SLC16A3 O15427 1/20 0.66
CA2 P00918 2/20 0.60
CYP2D6 P10635 2/20 0.59
HPGD P15428 3/20 0.57
GAA P10253 2/20 0.57
MAOB P27338 1/20 0.57
HSD17B10 Q99714 2/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
CA3 P07451 1/20 0.56
AKR1B1 P15121 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA14 Q9ULX7 1/20 0.56
NPC1 O15118 4/20 0.55

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
Hydrochloric Acid SCHEMBL11747973 0.98 ALDH1A1 (0.64) ALDH1A1KDM4ESLC16A3CA2CYP2D6
SCHEMBL11793871 0.91 ALDH1A1 (0.57) ALDH1A1KDM4ESLC16A3CA2CYP2D6
SCHEMBL31367874 0.87 CYP2D6 (0.59) ALDH1A1KDM4ESLC16A3CA2CYP2D6
SCHEMBL1287537 0.87 ALDH1A1 (0.66) ALDH1A1KDM4ESLC16A3CA2CYP2D6
SCHEMBL335319 0.87 KDM4E (0.66) ALDH1A1KDM4ECA2HPGDCA12
SCHEMBL29527237 0.87 KDM4E (0.66) ALDH1A1KDM4ECA2HPGDCA12
Hydrochloric Acid SCHEMBL11498190 0.85 KDM4E (0.64) ALDH1A1KDM4ECA2HPGDCA12
SCHEMBL9251599 0.85 CYP2D6 (0.58) ALDH1A1KDM4ESLC16A3CA2CYP2D6
SCHEMBL4450673 0.85 KDM4E (0.67) ALDH1A1KDM4ESLC16A3CA2CYP2D6
Methylene Chloride SCHEMBL28849518 0.83 LMNA (0.62) ALDH1A1KDM4ECA2HPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103130705-B Benzo five-membered unsaturated heterocycle compound or its pharmaceutical salts and preparation method thereof, pharmaceutical composition and application thereof INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2016-04-20 CN claimed
EP-2205558-B1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF AS HISTAMINE H3 RECEPTOR MODULATORS SANOFI SA (FR) 2012-07-25 EP claimed
US-8227504-B2 Substituted N-phenyl-pyrrolidinylmethylpyrrolidine amides and therapeutic use thereof SANOFI (FR) 2012-07-24 US claimed
EP-2205558-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF AS HISTAMINE H3 RECEPTOR MODULATORS Sanofi-Aventis (FR) 2010-07-14 EP claimed
US-20100173898-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US claimed
WO-2009052063-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF AS HISTAMINE H3 RECEPTOR MODULATORS SANOFI-AVENTIS (FR) 2009-04-23 WO claimed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 US claimed
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HAAG RAINER (DE) 2004-09-30 US claimed
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2003-07-24 US claimed
EP-0031296-B1 METHOD FOR THE PREPARATION OF BENZAZOLYL COMPOUNDS CIBA-GEIGY AG (CH) 1985-08-07 EP claimed
EP-0126342-A2 3-Alkyl-8-chloro-5,6-dihydrofuro-[3,2-f]-1,2-benzisoxazole-6-carboxylic acids ABBOTT LABORATORIES (US) 1984-11-28 EP claimed
US-4327209-A Process for the production of dibenzazolyl compounds CIBA-GEIGY CORPORATION (US) 1982-04-27 US claimed
EP-0031296-A1 Method for the preparation of benzazolyl compounds CIBA-GEIGY AG (CH) 1981-07-01 EP claimed
US-20250346575-A1 ISOINDOLINONE DERIVATIVE HAVING GLUTARIMIDE MOTHER NUCLEUS, AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-11-13 US disclosed
EP-4431505-A1 ISOINDOLINONE DERIVATIVE HAVING GLUTARIMIDE MOTHER NUCLEUS, AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2024-09-18 EP disclosed
CN-118234721-A Isoindolinone derivative with glutarimide mother nucleus and application thereof 韩国化学研究院 2024-06-21 CN disclosed
EP-0031296-A1 Method for the preparation of benzazolyl compounds CIBA-GEIGY AG (CH) 1981-07-01 EP disclosed
US-4017483-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1977-04-12 US disclosed
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 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 (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-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 ALDH1A1 198/4885KDM4E 2857/4885SLC16A3 1391/4885
US-20100173898-A1 SUBSTITUTED N-PHENYL-PYRROLIDINYLMETHYLPYRROLIDINE AMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 ALDH1A1 804/4885KDM4E 532/4885SLC16A3 1275/4885
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 ALDH1A1 198/4885KDM4E 2857/4885SLC16A3 1391/4885
US-20250346575-A1 ISOINDOLINONE DERIVATIVE HAVING GLUTARIMIDE MOTHER NUCLEUS, AND USE THEREOF CRBN, IDH1, IDH2 ALDH1A1 849/4885KDM4E 2129/4885SLC16A3 3300/4885

“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.