SCHEMBL4639639

SCHEMBL4639639

CC(Oc1ccc(Cc2c(-c3ccc(Cl)cc3)c(=O)oc3c(I)c(O)ccc23)cc1)C1CCCCN1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
ESR1 P03372 4/20 0.42
ESR2 Q92731 1/20 0.42
LTA4H P09960 2/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
TP53 P04637 1/20 0.35
GHSR Q92847 1/20 0.34

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
SCHEMBL5624870 0.87 ESR1 (0.58) CYP19A1ESR1ESR2
SCHEMBL4639644 0.83 LTA4H (0.45) CYP19A1ESR1ESR2LTA4HTP53
SCHEMBL4639651 0.78 ESR1 (0.42) CYP19A1ESR1TP53
SCHEMBL6171429 0.77 ESR1 (0.49) CYP19A1ESR1ESR2SLC6A2SLC6A4
SCHEMBL4640168 0.75 ESR1 (0.57) CYP19A1ESR1ESR2
SCHEMBL5142315 0.75 CYP19A1 (0.48) CYP19A1ESR1SLC6A2SLC6A4SLC6A3
SCHEMBL4639647 0.73 LTA4H (0.51) ESR1ESR2LTA4HTP53
SCHEMBL4640645 0.71 HSP90AA1 (0.39) CYP19A1ESR1LTA4H
SCHEMBL4641971 0.70 ESR1 (0.59) CYP19A1ESR1ESR2LTA4H
SCHEMBL4639765 0.69 ESR1 (0.44) CYP19A1ESR1

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 CYP19A1 17/4885ESR1 1/4885ESR2 2/4885

“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.