SCHEMBL925372

SCHEMBL925372

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.57
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
KLKB1 P03952 1/20 0.50
CTSB P07858 1/20 0.50
MMP9 P14780 1/20 0.50
DNMT1 P26358 1/20 0.50
DNMT3B Q9UBC3 1/20 0.50
DNMT3L Q9UJW3 1/20 0.50
DNMT3A Q9Y6K1 1/20 0.50
KAT8 Q9H7Z6 2/20 0.47
LCK P06239 1/20 0.46
POLB P06746 1/20 0.45
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
HNF4A P41235 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
SCHEMBL9037212 0.91 CSNK2A1 (0.53) TRPA1MAOAMAOBKLKB1CTSB
SCHEMBL21035765 0.86 LCK (0.61) MAOAMAOBKLKB1CTSBMMP9
SCHEMBL13302505 0.86 KLKB1 (0.68) MAOAMAOBKLKB1CTSBMMP9
SCHEMBL3895298 0.85 CNR1 (0.58) MAOAMAOBKLKB1CTSBMMP9
SCHEMBL418713 0.84 KLKB1 (0.71) TRPA1KLKB1CTSBMMP9DNMT1
SCHEMBL8568065 0.84 MAOA (0.50) MAOAMAOBKLKB1CTSBMMP9
SCHEMBL3337253 0.84 TRPA1 (0.57) TRPA1MAOAMAOBCA12CA1
SCHEMBL4678087 0.84 TRPA1 (0.42) TRPA1ALDH1A1MAPTKMT2AHSD17B1
SCHEMBL21900873 0.83 HSD17B1 (0.46) TRPA1MAOAMAOBALDH1A1MAPT
SCHEMBL312283 0.82 MAOA (0.49) MAOAMAOBKLKB1CTSBMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
US-10208025-B2 Alkyne-, azide- and triazole-containing flavonoids as modulators for multidrug resistance in cancers THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2019-02-19 US disclosed
US-9611256-B2 Alkyne-, azide- and triazole-containing flavonoids as modulators for multidrug resistance in cancers THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2017-04-04 US disclosed
US-20170044141-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2017-02-16 US disclosed
EP-2209790-B1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 EP disclosed
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
WO-2013127361-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2013-09-06 WO disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
EP-0721947-B1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-03-14 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
CN-1061653-C Novel alkylated (hetero) cyclic compounds, process for their prepn. and pharmaceutical compositions contg. same ADIR (FR) 2001-02-07 CN disclosed
US-5703121-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1997-12-30 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
CN-1134938-A Novel alkylated (hetero) cyclic compounds, process for their prepn. and pharmaceutical compositions contg. same ADIR (FR) 1996-11-06 CN disclosed
EP-0721947-A1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-07-17 EP disclosed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 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 (3 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-20170044141-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 TRPA1 2102/4885MAOA 1643/4885MAOB 832/4885
US-10208025-B2 Alkyne-, azide- and triazole-containing flavonoids as modulators for multidrug resistance in cancers ABCG2, ABCB1, ABCC1 TRPA1 2102/4885MAOA 1643/4885MAOB 832/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 TRPA1 2102/4885MAOA 1643/4885MAOB 832/4885

“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.