SCHEMBL4639596

SCHEMBL4639596

COc1ccc2c(Cc3ccc(O)cc3)c(-c3ccc(Cl)cc3Cl)c(=O)oc2c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.62
ESR2 Q92731 3/20 0.55
ESR1 P03372 12/20 0.55
NQO1 P15559 1/20 0.49
MAPT P10636 1/20 0.45
VKORC1 Q9BQB6 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL5426684 0.88 CYP19A1 (0.57) CYP19A1ESR2ESR1NQO1
SCHEMBL5422463 0.88 CYP19A1 (0.52) CYP19A1ESR2ESR1NQO1
SCHEMBL5428058 0.87 CYP19A1 (0.81) CYP19A1ESR2ESR1NQO1MAPT
SCHEMBL4639676 0.87 CYP19A1 (0.58) CYP19A1ESR2ESR1NQO1
SCHEMBL4639584 0.83 ESR1 (0.54) CYP19A1ESR2ESR1
SCHEMBL5426736 0.82 ESR1 (0.57) CYP19A1ESR1
SCHEMBL5142252 0.81 CYP19A1 (0.74) CYP19A1ESR2ESR1NQO1VKORC1
SCHEMBL6153596 0.81 CYP19A1 (0.51) CYP19A1ESR2ESR1
SCHEMBL6818924 0.79 ESR1 (0.51) CYP19A1ESR1NQO1
SCHEMBL503003 0.79 ESR1 (0.58) ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667999-A4 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2008-08-06 EP disclosed
US-20070191343-A1 4-((4-(2-Azaperhydroepinylethoxy)phenyl)methyl)-3-2(2,4-dichlorophenyl)-7-hydroxychromen-2-one, pharmaceutically acceptable salts thereof and methods of use therewith SIGNAL PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191343-A1 4-((4-(2-Azaperhydroepinylethoxy)phenyl)methyl)-3-2(2,4-dichlorophenyl)-7-hydroxychromen-2-one, pharmaceutically acceptable salts thereof and methods of use therewith SIGNAL PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-7247646-B2 Benzopyranone compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-24 US disclosed
US-7247646-B2 Benzopyranone compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-24 US disclosed
US-7247646-B2 Benzopyranone compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-24 US disclosed
US-20070123511-A1 Benzopyranone compounds, compositions thereof, and methods for treating or preventing cancer SIGNAL PHARMACEUTICALS LLC 2007-05-31 US disclosed
US-20070123511-A1 Benzopyranone compounds, compositions thereof, and methods for treating or preventing cancer SIGNAL PHARMACEUTICALS LLC 2007-05-31 US disclosed
US-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith MCKIE JEFFREY A 2007-01-18 US disclosed
US-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith MCKIE JEFFREY A 2007-01-18 US disclosed
US-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith MCKIE JEFFREY A 2007-01-18 US disclosed
WO-2007002272-A1 BENZOPYRANONE COMPOUNDS FOR TREATING CANCER SIGNAL PHARMACEUTICALS, LLC (US) 2007-01-04 WO disclosed
EP-1667999-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2006-06-14 EP disclosed
US-20050137231-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-06-23 US disclosed
WO-2005028472-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2005-03-31 WO disclosed
EP-1497277-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, Inc. (US) 2005-01-19 EP disclosed
US-20040092572-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith NOVARTIS AG (CH) 2004-05-13 US disclosed
WO-2003089422-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-30 WO disclosed
US-6620838-B1 Anticarcinogenic, antimestasis, and antiarthritic agents; osteoporosis and endometriosis treatment SIGNAL PHARMACEUTICALS, INC. 2003-09-16 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 (5 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-20050137231-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith ESR1, ESR2, ESRRG CYP19A1 17/4885ESR2 2/4885ESR1 1/4885
US-20070123511-A1 Benzopyranone compounds, compositions thereof, and methods for treating or preventing cancer BRCA1, RB1, TP53 CYP19A1 23/4885ESR2 515/4885ESR1 343/4885
US-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith ESR2, CYP19A1, ESRRA CYP19A1 2/4885ESR2 1/4885ESR1 4/4885
US-20070191343-A1 4-((4-(2-Azaperhydroepinylethoxy)phenyl)methyl)-3-2(2,4-dichlorophenyl)-7-hydroxychromen-2-one, pharmaceutically acceptable salts thereof and methods of use therewith CYP3A43, CYP2D6, CYP2J2 CYP19A1 44/4885ESR2 406/4885ESR1 697/4885
US-20040092572-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith ESR2, ESRRA, ESR1 CYP19A1 6/4885ESR2 1/4885ESR1 3/4885

“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.