SCHEMBL3810768

SCHEMBL3810768

COc1ccc2c(=O)c(-c3ccccc3)c(SCc3ccccc3)oc2c1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 13/20 0.86
▸ ALDH1A1 P00352 2/20 0.68
▸ CYP1A2 P05177 2/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ CYP2C19 P33261 2/20 0.68
▸ CA1 P00915 2/20 0.63
▸ CA2 P00918 2/20 0.63
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ NPC1 O15118 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ TNKS O95271 1/20 0.52

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
SCHEMBL3829440 0.92 CYP19A1 (1.00) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3817297 0.90 CYP19A1 (1.00) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3816936 0.89 CYP19A1 (0.89) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3813366 0.85 CYP19A1 (1.00) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3815332 0.85 CYP19A1 (0.73) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3821126 0.84 CYP19A1 (1.00) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3811424 0.83 CYP19A1 (1.00) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3820372 0.82 CYP19A1 (0.85) CYP19A1ALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL15061273 0.82 CYP19A1 (1.00) CYP19A1NPC1MAOARAB9A
SCHEMBL3204569 0.81 ALDH1A1 (1.00) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476313-B2 Heteroaryl-containing isoflavones as aromatase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-07-02 — — US disclosed
US-20090253715-A1 HETEROARYL-CONTAINING ISOFLAVONES AS AROMATASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-10-08 — — US disclosed
US-7572919-B2 7-Hydroxy-3-(4-hydroxyphenyl)-2-[(phenylmethyl)thio]-4H-1-benzopyran-4-one, for example; reacting deoxybenzoins with a phase transfer catalyst to provide a 2-(alkylthio)isoflavone, deprotecting the 2-(alkylthio)isoflavon, and applying selective debenzylation to form the final compound THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-11 — — US disclosed
EP-1802599-A2 HETEROARYL-CONTAINING ISOFLAVONES AS AROMATASE INHIBITORS The Ohio State University Research Foundation (US) 2007-07-04 — — EP disclosed
WO-2007001348-A2 HETEROARYL-CONTAINING ISOFLAVONES AS AROMATASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-01-04 — — WO disclosed
US-20060183923-A1 Heteroaryl-containing isoflavones as aromatase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2006-08-17 — — 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 (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-20090253715-A1 HETEROARYL-CONTAINING ISOFLAVONES AS AROMATASE INHIBITORS CYP19A1, HSD17B11, CYP21A2 CYP19A1 1/4885ALDH1A1 2575/4885CYP1A2 93/4885
US-20060183923-A1 Heteroaryl-containing isoflavones as aromatase inhibitors CYP19A1, HSD17B11, CYP21A2 CYP19A1 1/4885ALDH1A1 2575/4885CYP1A2 93/4885

“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.

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