SCHEMBL5146155

SCHEMBL5146155

COc1ccc2c(Cc3ccc(O)cc3)c(-c3ccc(F)cc3)c(=O)oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.65
ESR1 P03372 14/20 0.65
ESR2 Q92731 1/20 0.54
NPC1 O15118 1/20 0.54
BRAF P15056 1/20 0.52
MAP2K1 Q02750 1/20 0.52
NQO1 P15559 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAOB P27338 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
SCHEMBL5428058 0.90 CYP19A1 (0.81) CYP19A1ESR1ESR2NPC1NQO1
SCHEMBL5142252 0.89 CYP19A1 (0.74) CYP19A1ESR1ESR2NPC1NQO1
SCHEMBL4640144 0.89 ESR1 (0.64) CYP19A1ESR1ESR2NPC1NQO1
SCHEMBL8934606 0.82 CYP19A1 (0.80) CYP19A1ESR1ESR2NPC1NQO1
SCHEMBL13713067 0.82 ESR1 (0.72) CYP19A1ESR1ESR2NQO1
SCHEMBL25079562 0.82 ESR1 (0.70) CYP19A1ESR1ESR2NPC1MEN1
SCHEMBL4640663 0.80 ESR1 (0.59) CYP19A1ESR1ESR2NPC1NQO1
SCHEMBL4639596 0.79 CYP19A1 (0.62) CYP19A1ESR1ESR2NPC1NQO1
SCHEMBL13183972 0.79 ESR1 (1.00) ESR1
SCHEMBL6818924 0.78 ESR1 (0.51) CYP19A1ESR1NQO1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.