SCHEMBL4639765

SCHEMBL4639765

C=CCOc1ccc2c(Cc3ccc(OC(C)C4CCCN4)cc3)c(-c3ccc(C(F)(F)F)cc3)c(=O)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.44
CYP19A1 P11511 1/20 0.40
AGER Q15109 1/20 0.40
AR P10275 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL4640168 0.88 ESR1 (0.57) ESR1CYP19A1AR
SCHEMBL4639760 0.85 ESR1 (0.45) ESR1CYP19A1AGERAR
SCHEMBL4639651 0.85 ESR1 (0.42) ESR1CYP19A1
SCHEMBL4639764 0.79 ESR1 (0.50) ESR1BCHEACHE
SCHEMBL6152326 0.76 CYP19A1 (0.51) ESR1CYP19A1
SCHEMBL5624870 0.75 ESR1 (0.58) ESR1CYP19A1
SCHEMBL4640167 0.73 ESR1 (0.57) ESR1
SCHEMBL4639650 0.71 ESR1 (0.42) ESR1
SCHEMBL4639556 0.70 ESR1 (0.42) ESR1CYP19A1
SCHEMBL4640144 0.70 ESR1 (0.64) ESR1CYP19A1

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 5 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
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 17/4885AGER 475/4885

“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.