SCHEMBL4640663

SCHEMBL4640663

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.59
CYP19A1 P11511 1/20 0.58
CYP2C9 P11712 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 1/20 0.45
ESR2 Q92731 1/20 0.44
NQO1 P15559 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4640144 0.91 ESR1 (0.64) ESR1CYP19A1CYP2C9DRD2DRD4
SCHEMBL4639684 0.88 ESR1 (0.49) ESR1CYP19A1MEN1KMT2AMAOB
SCHEMBL4639615 0.87 ESR1 (0.48) ESR1CYP19A1MEN1KMT2AMAOB
SCHEMBL5146155 0.80 CYP19A1 (0.65) ESR1CYP19A1CYP2C9MEN1KMT2A
SCHEMBL5422253 0.79 ESR1 (0.64) ESR1CYP19A1DRD2DRD4DRD3
SCHEMBL7020074 0.79 MAOB (0.51) ESR1CYP19A1CYP2C9DRD2DRD4
SCHEMBL6818924 0.78 ESR1 (0.51) ESR1CYP19A1CYP2C9DRD2DRD4
SCHEMBL5428058 0.78 CYP19A1 (0.81) ESR1CYP19A1CYP2C9DRD2DRD4
SCHEMBL5142252 0.78 CYP19A1 (0.74) ESR1CYP19A1CYP2C9KMT2AESR2
SCHEMBL6152326 0.78 CYP19A1 (0.51) ESR1CYP19A1CYP2C9DRD2DRD4

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 7 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-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
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

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-20050137231-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith ESR1, ESR2, ESRRG ESR1 1/4885CYP19A1 17/4885CYP2C9 1468/4885

“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.