SCHEMBL4639644

SCHEMBL4639644

O=c1oc2c(I)c(O)ccc2c(Cc2ccc(OCCC3CCCCN3)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CYP19A1 P11511 1/20 0.41
ESR1 P03372 3/20 0.41
ESR2 Q92731 1/20 0.41
AURKB Q96GD4 1/20 0.40
CHEK2 O96017 1/20 0.38
TP53 P04637 1/20 0.36

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
SCHEMBL4640645 0.87 HSP90AA1 (0.39) LTA4HHSP90AA1HSP90AB1CYP19A1ESR1
SCHEMBL4641971 0.86 ESR1 (0.59) LTA4HCYP19A1ESR1ESR2
SCHEMBL4639639 0.83 CYP19A1 (0.44) LTA4HCYP19A1ESR1ESR2TP53
SCHEMBL4639647 0.82 LTA4H (0.51) LTA4HESR1ESR2TP53
SCHEMBL4639650 0.77 ESR1 (0.42) LTA4HESR1CHEK2TP53
SCHEMBL5146936 0.77 ESR1 (0.51) HSP90AA1HSP90AB1ESR1ESR2
SCHEMBL5623896 0.76 HSP90AA1 (0.47) HSP90AA1HSP90AB1ESR1ESR2TP53
SCHEMBL14459772 0.74 ESR1 (0.51) LTA4HESR1ESR2TP53
SCHEMBL5142313 0.73 ESR1 (0.50) LTA4HHSP90AA1HSP90AB1CYP19A1ESR1
SCHEMBL5983904 0.73 ESR1 (0.48) LTA4HCYP19A1ESR1ESR2

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 LTA4H 2205/4885HSP90AA1 2126/4885HSP90AB1 2257/4885

“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.