SCHEMBL5142252

SCHEMBL5142252

COc1ccc2c(Cc3ccc(O)cc3)c(-c3ccccc3)c(=O)oc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.74
ESR1 P03372 10/20 0.67
ESR2 Q92731 1/20 0.62
NQO1 P15559 1/20 0.54
NPC1 O15118 2/20 0.53
VKORC1 Q9BQB6 1/20 0.53
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ERAP1 Q9NZ08 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HSD17B3 P37058 1/20 0.51

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
SCHEMBL8934606 0.93 CYP19A1 (0.80) CYP19A1ESR1ESR2NQO1NPC1
SCHEMBL5428058 0.89 CYP19A1 (0.81) CYP19A1ESR1ESR2NQO1NPC1
SCHEMBL5146155 0.89 CYP19A1 (0.65) CYP19A1ESR1ESR2NQO1NPC1
SCHEMBL4640144 0.87 ESR1 (0.64) CYP19A1ESR1ESR2NQO1NPC1
SCHEMBL14428676 0.85 CYP19A1 (0.68) CYP19A1ESR1ESR2NPC1ALDH1A1
SCHEMBL13183965 0.85 CYP19A1 (0.67) CYP19A1ESR1ESR2NPC1ALDH1A1
SCHEMBL8934551 0.84 VKORC1 (0.66) CYP19A1ESR1ESR2NQO1VKORC1
SCHEMBL5139700 0.84 ESR1 (0.84) CYP19A1ESR1ESR2ERAP1KDM4E
SCHEMBL25079562 0.81 ESR1 (0.70) CYP19A1ESR1ESR2NPC1CYP2C9
SCHEMBL14428675 0.81 ESR1 (0.63) CYP19A1ESR1ESR2ERAP1KDM4E

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-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-20070123511-A1 Benzopyranone compounds, compositions thereof, and methods for treating or preventing cancer SIGNAL PHARMACEUTICALS LLC 2007-05-31 US disclosed
EP-1450812-A4 USE OF BENZOPYRANONES FOR TREATING OR PREVENTING A PRIMARY BRAIN CANCER OR A BRAIN METASTASIS SIGNAL PHARM INC (US) 2007-03-28 EP disclosed
US-7148252-B2 Use of benzopyranones for treating or preventing a primary brain cancer or a brain metastasis SIGNAL PHARMACEUTICALS, LLC (US) 2006-12-12 US disclosed
EP-1246814-B1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARM INC (US) 2005-02-16 EP disclosed
EP-1450812-A2 USE OF BENZOPYRANONES FOR TREATING OR PREVENTING A PRIMARY BRAIN CANCER OR A BRAIN METASTASIS Signal Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
EP-1140889-B1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARM INC (US) 2003-08-27 EP disclosed
US-20030149025-A1 Use of benzopyranones for treating or preventing a primary brain cancer or a brain metastasis SIGNAL PHARMACEUTICALS, INC. 2003-08-07 US disclosed
WO-2003028652-A2 USE OF BENZOPYRANONES FOR TREATING OR PREVENTING A PRIMARY BRAIN CANCER OR A BRAIN METASTASIS SIGNAL PHARMACEUTICALS, INC. (US) 2003-04-10 WO disclosed
US-6372739-B1 COUMARONE DERIVATIVES FOR DRUGS SIGNAL PHARMACEUTICALS, INC. 2002-04-16 US disclosed
US-6331562-B1 SELECTIVELY MODULATE ESTROGEN RECEPTOR-BETA ACTIVITY; INHIBIT CYTOKINES SUCH AS INTERLEUKIN-6 SIGNAL PHARMACEUTICALS, INC. 2001-12-18 US disclosed
EP-1140889-A2 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2001-10-10 EP disclosed
US-6291456-B1 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed
WO-2000039120-A2 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2000-07-06 WO 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 (3 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-20030149025-A1 Use of benzopyranones for treating or preventing a primary brain cancer or a brain metastasis RB1, FOXK1, SKP1 CYP19A1 879/4885ESR1 2470/4885ESR2 1390/4885
US-20070123511-A1 Benzopyranone compounds, compositions thereof, and methods for treating or preventing cancer BRCA1, RB1, TP53 CYP19A1 23/4885ESR1 343/4885ESR2 515/4885
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 44/4885ESR1 697/4885ESR2 406/4885

“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.