SCHEMBL3821003

SCHEMBL3821003

C=C(C)Sc1oc2cc(OCc3ccccc3)ccc2c(=O)c1-c1ccc(OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.69
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAOB P27338 3/20 0.48
▸ ACHE P22303 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ CASP3 P42574 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SENP8 Q96LD8 2/20 0.47
▸ SENP7 Q9BQF6 2/20 0.47
▸ SENP6 Q9GZR1 2/20 0.47

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
SCHEMBL3822070 0.87 ALDH1A1 (0.67) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3816936 0.86 CYP19A1 (0.89) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3821126 0.81 CYP19A1 (1.00) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10623137 0.77 ALDH1A1 (0.71) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28085675 0.77 MAOB (0.65) CYP19A1ALDH1A1MEN1KMT2ALMNA
SCHEMBL3810768 0.75 CYP19A1 (0.86) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3813082 0.75 ESR1 (0.67) CYP19A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL15061273 0.74 CYP19A1 (1.00) CYP19A1MAOBACHENPC1CASP3
SCHEMBL9350122 0.73 MAOB (0.72) MEN1KMT2AMAOBACHENPC1
SCHEMBL950959 0.72 MAPT (0.72) ALDH1A1CYP2C9CYP2C19MEN1KMT2A

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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