SCHEMBL4685014

SCHEMBL4685014

O=C(O)c1ccc2c(c1)OCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.55
TSHR P16473 2/20 0.49
PRKCI P41743 1/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
SRD5A2 P31213 3/20 0.45
STAT3 P40763 1/20 0.44
FABP4 P15090 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
RARA P10276 2/20 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
SCHEMBL30251781 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1TSHRSRD5A2STAT3
SCHEMBL5917930 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1TSHRSRD5A2STAT3
Hydrogen Sulfide SCHEMBL27484304 0.88 ALDH1A1 (0.56) ALDH1A1MAPK1SRD5A2STAT3NPC1
SCHEMBL2242305 0.86 PRKAB2 (0.50) ALDH1A1PRKCIPRKAB2PRKAG1PRKAA2
Bromide SCHEMBL7514844 0.85 ALDH1A1 (0.42) ALDH1A1MAPK1PRKAB2PRKAG1PRKAA2
SCHEMBL1395976 0.85 PRKCI (0.64) ALDH1A1MAPK1TSHRPRKCISRD5A2
SCHEMBL4320180 0.85 TSHR (0.68) TSHRPRKCINPC1RAB9AKDM4E
SCHEMBL30344379 0.85 TSHR (0.68) TSHRPRKCINPC1RAB9AKDM4E
SCHEMBL19932401 0.84 TSHR (0.47) TSHRPRKCIPRKAB2PRKAG1PRKAA2
SCHEMBL1182047 0.84 KDM4E (0.60) TSHRPRKCINPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729953-A2 A process for producing a 2-substituted-3,4-fused heterocyclic benzoic acid ROHM AND HAAS COMPANY (US) 1996-09-04 EP claimed
EP-0602794-A2 Insecticidal N'-substituted-N, N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1994-06-22 EP claimed
EP-4644390-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF Beyang Therapeutics Co., Ltd. (CN) 2025-11-05 EP disclosed
WO-2024140850-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-07-04 WO disclosed
CN-117062816-A Tricyclic-amide-bicyclic PRMT5 inhibitors 美国安进公司 2023-11-14 CN disclosed
US-20230053152-A1 Novel Quercetin Redox Derivative And Use Thereof As BET Inhibitor BENOBIO CO., LTD. (KR) 2023-02-16 US disclosed
WO-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 WO disclosed
CN-114591293-A Fused ring compound as Nav1.8 inhibitor and application thereof 成都康弘药业集团股份有限公司 2022-06-07 CN disclosed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
EP-3911652-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS Biogen MA Inc. (US) 2021-11-24 EP disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
EP-1169317-B1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
US-6465493-B1 SUCH AS 4-(4-(4-FLUOROPHENYL)-5-(2-PYRIDYL)-1-HYDROXY-1H-IMIDAZOL-2-YL)BENZONITRILE; ALK5 MEDIATED DISEASES SUCH AS ARTHRITIS, OSTEOPOROSIS, KIDNEY AND RENAL DISEASES, CONGES-TIVE HEART FAILURE, ULCERS, DIABETIC NEPHROPATHY SMITHKLINE BEECHAM CORPORATION 2002-10-15 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP disclosed
EP-0823903-B1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CT INTERNAT DE RECH S (FR) 2001-07-18 EP disclosed
EP-0729934-A2 A process for producing a 3-alkoxy-2-(substituted)benzoic acid or an ester thereof ROHM AND HAAS COMPANY (US) 1996-09-04 EP disclosed
EP-0729953-A2 A process for producing a 2-substituted-3,4-fused heterocyclic benzoic acid ROHM AND HAAS COMPANY (US) 1996-09-04 EP disclosed
EP-0693486-A1 Insecticidal N-substituted-N'-(optionally substituted)-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1996-01-24 EP disclosed
US-5482962-A Insecticidal N,N'-disubstituted-N-N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1996-01-09 US disclosed
EP-0602794-A2 Insecticidal N'-substituted-N, N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1994-06-22 EP 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-20230053152-A1 Novel Quercetin Redox Derivative And Use Thereof As BET Inhibitor BET1, BRD4, BRD3 ALDH1A1 3281/4885MAPK1 1643/4885TSHR 4611/4885
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 ALDH1A1 1657/4885MAPK1 324/4885TSHR 2244/4885

“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.