SCHEMBL3337253

SCHEMBL3337253

CCc1ccc(C(C)=O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.57
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
MAOB P27338 10/20 0.51
MAOA P21397 6/20 0.51
PPARA Q07869 1/20 0.47
HSD17B1 P14061 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL21034783 0.86 ALDH1A1 (0.53) ALDH1A1HPGDCYP3A4MAPK1MAOB
SCHEMBL8116180 0.85 PPARA (0.57) ALDH1A1HPGDCYP3A4MAPK1MAOB
SCHEMBL925372 0.84 TRPA1 (0.57) TRPA1ALDH1A1MAOBMAOAHSD17B1
SCHEMBL11938337 0.84 ALDH1A1 (0.52) ALDH1A1HPGDCYP3A4MAPK1MAOB
SCHEMBL2126940 0.84 PPARA (0.65) TRPA1ALDH1A1HPGDCYP3A4PPARA
SCHEMBL21900873 0.83 HSD17B1 (0.46) TRPA1ALDH1A1CYP3A4MAPK1MAOB
SCHEMBL14072398 0.82 TRPA1 (0.55) TRPA1ALDH1A1HPGDMAPK1PPARA
SCHEMBL27919396 0.82 HSP90AB1 (0.67) TRPA1ALDH1A1HPGDCYP3A4MAPK1
SCHEMBL29827550 0.82 HSD17B1 (0.58) TRPA1ALDH1A1HPGDMAOBMAOA
SCHEMBL3737547 0.82 HSD17B1 (0.58) TRPA1ALDH1A1HPGDMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511233-B Thiazolo [2,3-b ] oxazolone compound and preparation method and application thereof 成都大学 2022-01-25 CN disclosed
US-20150306002-A1 3-HYDROXY-4-OXO-4H-PYRAN- OR 3-HYDROXY-4-OXO-1,4-DIHYDROPYRIDINE DERIVATIVES AS PROTEIN-ADHESIVE ACTIVE SUBSTANCES MERCK PATENT GMBH (DE) 2015-10-29 US disclosed
WO-2010105851-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-23 WO disclosed
US-20100151508-A1 COMPOUNDS THE ROBERT GORDON UNIVERSITY 2010-06-17 US disclosed
US-20100151508-A1 COMPOUNDS THE ROBERT GORDON UNIVERSITY 2010-06-17 US disclosed
US-20100151508-A1 COMPOUNDS THE ROBERT GORDON UNIVERSITY 2010-06-17 US disclosed
US-7601754-B2 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2009-10-13 US disclosed
US-7601754-B2 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2009-10-13 US disclosed
US-7601754-B2 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2009-10-13 US disclosed
WO-2008062184-A1 COMPOUNDS THE ROBERT GORDON UNIVERSITY (GB) 2008-05-29 WO disclosed
EP-1534698-B1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RES INST (GB) 2007-09-19 EP disclosed
EP-1534698-B1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RES INST (GB) 2007-09-19 EP disclosed
US-20060137207-A1 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2006-06-29 US disclosed
EP-1534698-A1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS The Rowett Research Institute (GB) 2005-06-01 EP disclosed
WO-2004007475-A1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RESEARCH INSTITUTE (GB) 2004-01-22 WO disclosed
EP-0634409-B1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-5659051-A Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0634409-A1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 EP disclosed
WO-1993022311-A1 FUNGICIDAL 1,3,4-OXADIAZINES AND 1,3,4-THIADIAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-11 WO 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 (2 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-20150306002-A1 3-HYDROXY-4-OXO-4H-PYRAN- OR 3-HYDROXY-4-OXO-1,4-DIHYDROPYRIDINE DERIVATIVES AS PROTEIN-ADHESIVE ACTIVE SUBSTANCES S100A4, CUTA, OCIAD1 TRPA1 615/4885ALDH1A1 169/4885HPGD 361/4885
US-20100151508-A1 COMPOUNDS NFE2L2, RBBP4, GPX4 TRPA1 2270/4885ALDH1A1 1424/4885HPGD 1071/4885

“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.