SCHEMBL3820741

SCHEMBL3820741

Cc1ccc(CC(=O)c2ccc(O)cc2O)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.81
SHBG P04278 1/20 0.81
ESR2 Q92731 1/20 0.81
LMNA P02545 4/20 0.71
RAB9A P51151 4/20 0.71
NPC1 O15118 3/20 0.71
MAPT P10636 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
HTT P42858 2/20 0.71
GAA P10253 1/20 0.71
ALOX12 P18054 1/20 0.71
ALDH1A1 P00352 5/20 0.70
KMT2A Q03164 3/20 0.70
HPGD P15428 3/20 0.70
MEN1 O00255 2/20 0.70
CYP3A4 P08684 1/20 0.70
ATM Q13315 1/20 0.70
ALOX5 P09917 1/20 0.61
HSP90AB1 P08238 1/20 0.59
HSD17B10 Q99714 2/20 0.57

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
SCHEMBL38652384 1.00 ESR1 (0.81) ESR1SHBGESR2LMNARAB9A
SCHEMBL13640734 0.90 ESR1 (0.75) ESR1SHBGESR2LMNARAB9A
SCHEMBL13966006 0.90 ESR1 (0.64) ESR1SHBGESR2LMNARAB9A
SCHEMBL30503014 0.90 ESR1 (1.00) ESR1SHBGESR2LMNARAB9A
SCHEMBL312243 0.90 ESR1 (1.00) ESR1SHBGESR2LMNARAB9A
SCHEMBL9474352 0.86 ALOX5 (0.74) ESR1SHBGESR2LMNARAB9A
SCHEMBL3817844 0.84 NPC1 (0.76) ESR1SHBGESR2LMNARAB9A
SCHEMBL38652442 0.84 NPC1 (0.76) ESR1SHBGESR2LMNARAB9A
SCHEMBL3586687 0.83 ESR1 (0.81) ESR1SHBGESR2LMNARAB9A
SCHEMBL2331741 0.83 LMNA (1.00) ESR1SHBGESR2LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 US disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 US disclosed
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-06-12 US disclosed
US-8669381-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2013-10-17 US disclosed
US-8481590-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-8476313-B2 Heteroaryl-containing isoflavones as aromatase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-07-02 US disclosed
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-11-22 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
US-7429576-B2 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ENDORECHERCHE, INC. (CA) 2008-09-30 US disclosed
US-7429576-B2 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ENDORECHERCHE, INC. (CA) 2008-09-30 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 (6 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 ESR1 20/4885SHBG 9/4885ESR2 32/4885
US-20060183923-A1 Heteroaryl-containing isoflavones as aromatase inhibitors CYP19A1, HSD17B11, CYP21A2 ESR1 20/4885SHBG 9/4885ESR2 32/4885
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ESR1 768/4885SHBG 327/4885ESR2 695/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ESR1 768/4885SHBG 327/4885ESR2 695/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ESR1 768/4885SHBG 327/4885ESR2 695/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ESR1 768/4885SHBG 327/4885ESR2 695/4885

“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.