SCHEMBL4640758

SCHEMBL4640758

O=c1oc2c(I)c(O)ccc2c(Cc2ccc(OCCN3CCCC3)cc2)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
ESR1 P03372 11/20 0.44
ESR2 Q92731 5/20 0.44
F2 P00734 1/20 0.41
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL5623982 0.91 LTA4H (0.46) LTA4HESR1ESR2F2
SCHEMBL5627051 0.90 LTA4H (0.44) LTA4HESR1ESR2F2
SCHEMBL4639647 0.88 LTA4H (0.51) LTA4HESR1ESR2F2
SCHEMBL4640684 0.87 ESR1 (0.38) ESR1ESR2PPARGPPARA
SCHEMBL503003 0.85 ESR1 (0.58) ESR1ESR2F2
SCHEMBL14459778 0.85 ESR1 (0.44) LTA4HESR1ESR2F2
SCHEMBL14428679 0.85 ESR1 (0.58) ESR1ESR2
SCHEMBL4640645 0.85 HSP90AA1 (0.39) LTA4HESR1
SCHEMBL4735315 0.83 ESR1 (0.46) LTA4HESR1ESR2
SCHEMBL14459774 0.83 ESR1 (0.42) LTA4HESR1ESR2F2

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 LTA4H 2205/4885ESR1 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.