SCHEMBL3845362

SCHEMBL3845362

C=CCc1sc2ccccc2c(=O)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CASP3 P42574 1/20 0.37
PTPN1 P18031 7/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL1193512 0.80 PTPN1 (0.42) PTPN1LMNAMAPTHTTL3MBTL1
SCHEMBL30672837 0.77 L3MBTL1 (0.39) TNKSTNKS2CASP3LMNAMAPT
SCHEMBL10330436 0.75 PTPN1 (0.40) CASP3PTPN1LMNAMAPTL3MBTL1
SCHEMBL2544178 0.75 PTPN1 (0.47) PTPN1L3MBTL1LOXL2
SCHEMBL3833771 0.73 PTPN1 (0.49) PTPN1
SCHEMBL10481496 0.73 PRNP (0.42) CASP3PTPN1LMNAKDM4EMEN1
SCHEMBL5473774 0.73 LOXL2 (0.42) CASP3PTPN1MAPTKDM4EMEN1
SCHEMBL1193932 0.72 KDM4E (0.43) PTPN1LMNAMAPTL3MBTL1KDM4E
SCHEMBL1193910 0.71 ALDH1A1 (0.44) TNKSTNKS2LMNAMAPTHTT
SCHEMBL4883358 0.71 LOXL2 (0.44) CASP3PTPN1MAPTKDM4EMEN1

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 TNKS 4787/4885TNKS2 4367/4885CASP3 565/4885
US-20060183923-A1 Heteroaryl-containing isoflavones as aromatase inhibitors CYP19A1, HSD17B11, CYP21A2 TNKS 4787/4885TNKS2 4367/4885CASP3 565/4885

“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.