SCHEMBL1643008

SCHEMBL1643008

CC(C)(C(=O)O)c1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
CA6 P23280 1/20 0.45
CYP3A4 P08684 3/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
CA5A P35218 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KIF11 P52732 3/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL6670315 0.85 HSD17B1 (0.50) HSD17B1HSD17B2CA12CA2CA9
SCHEMBL26629506 0.84 HSD17B1 (0.49) HSD17B1HSD17B2CA12CA2CA9
SCHEMBL1547298 0.84 HSD17B1 (0.53) HSD17B1HSD17B2CA12CA2CA9
SCHEMBL7072176 0.84 CA12 (0.45) HSD17B1HSD17B2CA12CA2CA9
SCHEMBL16060086 0.82 HSD17B1 (0.44) HSD17B1HSD17B2CA12CA2CA9
SCHEMBL27640014 0.82 MAPT (0.62) HSD17B1HSD17B2CA12CA2CA9
SCHEMBL31092504 0.81 HSD17B1 (0.43) HSD17B1HSD17B2CA12CA2CA9
SCHEMBL27965752 0.81 HDAC3 (0.47) HSD17B1HSD17B2CA12CA2CA9
SCHEMBL4607710 0.81 CNR1 (0.53) HSD17B1HSD17B2CA12CA2CA9
SCHEMBL1653535 0.80 KIF11 (0.45) CYP3A4MAPTKMT2ALMNAKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134712-A1 ANTIDIABETIC COMPOUNDS AND COMPOSITIONS REZUBIO PHARMACEUTICALS CO., LTD (CN) 2023-07-20 WO disclosed
EP-3177614-A1 [7,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2017-06-14 EP disclosed
WO-2016019863-A1 [7,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 WO disclosed
US-20120316169-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2012-12-13 US disclosed
EP-2493846-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe S.p.A. (IT) 2012-09-05 EP disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
US-8242145-B2 Cyclic diaryl ether compounds as antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-14 US disclosed
WO-2011051375-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2011-05-05 WO disclosed
EP-2316820-A1 2-aryl-propionamide derivatives useful as bradykinin receptor antagonists and pharmaceutical compositions containing them Dompe S.p.A. (IT) 2011-05-04 EP disclosed
CN-1329607-A Substituted benzopyran analogs for the treatment of inflammation SEARLE & CO (US) 2002-01-02 CN disclosed
EP-1123285-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2001-08-16 EP disclosed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US disclosed
US-6077850-A USEFUL FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 2000-06-20 US disclosed
WO-2000023433-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-04-27 WO disclosed
WO-1997009983-A1 PIPERIDINE DERIVATIVES AND PROCESSES FOR THEIR PRODUCTION ALBANY MOLECULAR RESEARCH, INC. (US) 1997-03-20 WO disclosed
US-4285957-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 US disclosed
US-4285958-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 US disclosed
US-4254130-A ANTIALLERGENS RICHARDSON-MERRELL INC. (US) 1981-03-03 US disclosed
US-4254129-A ANTIALLERGENS, BRONCHODILATORS, ANTIHISTAMINES; 4-DIPHENYLMETHYL PIPERIDINO-ALKANOLS RICHARDSON-MERRELL INC. (US) 1981-03-03 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 (1 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-20120316169-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BDKRB2, BDKRB1, CNR2 HSD17B1 3763/4885HSD17B2 3348/4885CA12 4659/4885

“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.