SCHEMBL4640684

SCHEMBL4640684

O=c1oc2c(I)c(O)ccc2c(Cc2ccc(OCCBr)cc2)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.38
CYP19A1 P11511 1/20 0.35
ESR2 Q92731 4/20 0.35
PPARA Q07869 2/20 0.32
S1PR1 P21453 1/20 0.32
LTK P29376 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PPARG P37231 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
F12 P00748 1/20 0.31

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
SCHEMBL4640758 0.87 LTA4H (0.46) ESR1ESR2PPARAPPARG
SCHEMBL4640645 0.84 HSP90AA1 (0.39) ESR1CYP19A1
SCHEMBL4639584 0.84 ESR1 (0.54) ESR1CYP19A1ESR2
SCHEMBL4639676 0.80 CYP19A1 (0.58) ESR1CYP19A1ESR2
SCHEMBL5623982 0.78 LTA4H (0.46) ESR1ESR2
SCHEMBL5627051 0.77 LTA4H (0.44) ESR1ESR2
SCHEMBL4639647 0.73 LTA4H (0.51) ESR1ESR2
SCHEMBL5430438 0.72 ESR1 (0.70) ESR1CYP19A1ESR2
SCHEMBL503003 0.71 ESR1 (0.58) ESR1ESR2
SCHEMBL4639644 0.71 LTA4H (0.45) ESR1CYP19A1ESR2

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 17/4885ESR2 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.