SCHEMBL4641971

SCHEMBL4641971

O=c1oc2cc(O)ccc2c(Cc2ccc(OCCC3CCCCN3)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.59
ESR2 Q92731 1/20 0.59
CYP19A1 P11511 1/20 0.50
LTA4H P09960 2/20 0.46

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
SCHEMBL5146936 0.90 ESR1 (0.51) ESR1ESR2
SCHEMBL4640167 0.87 ESR1 (0.57) ESR1ESR2
SCHEMBL5983904 0.87 ESR1 (0.48) ESR1ESR2CYP19A1LTA4H
SCHEMBL4639644 0.86 LTA4H (0.45) ESR1ESR2CYP19A1LTA4H
SCHEMBL6158194 0.84 ESR1 (0.45) ESR1ESR2
SCHEMBL6810576 0.83 ESR1 (0.68) ESR1ESR2CYP19A1LTA4H
SCHEMBL5624870 0.83 ESR1 (0.58) ESR1ESR2CYP19A1
SCHEMBL5430438 0.83 ESR1 (0.70) ESR1ESR2CYP19A1
Hydrochloric Acid SCHEMBL5417631 0.83 ESR1 (0.67) ESR1ESR2CYP19A1
SCHEMBL4641975 0.83 ESR1 (0.68) ESR1ESR2CYP19A1

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 1/4885ESR2 2/4885CYP19A1 17/4885

“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.