SCHEMBL4912016

SCHEMBL4912016

O=c1oc2cc(O)c(Br)cc2c(Cc2ccc(OCCN3CCCC3)cc2)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.51
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
ESR2 Q92731 1/20 0.45
LTA4H P09960 1/20 0.45

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
SCHEMBL4729453 0.91 ESR1 (0.55) ESR1KCNH2MCHR1ESR2LTA4H
SCHEMBL14459784 0.90 ESR1 (0.53) ESR1
SCHEMBL5624832 0.89 ESR1 (0.51) ESR1KCNH2MCHR1LTA4H
SCHEMBL14459769 0.89 ESR1 (0.50) ESR1KCNH2MCHR1ESR2LTA4H
SCHEMBL4640166 0.88 ESR1 (0.65) ESR1ESR2
SCHEMBL14459768 0.88 ESR1 (0.49) ESR1KCNH2MCHR1ESR2
SCHEMBL14622403 0.87 ESR1 (0.65) ESR1ESR2
SCHEMBL4640636 0.85 ESR1 (0.45) ESR1LTA4H
SCHEMBL5422253 0.85 ESR1 (0.64) ESR1KCNH2MCHR1LTA4H
SCHEMBL5623278 0.84 ESR1 (0.52) ESR1KCNH2MCHR1LTA4H

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 1/4885KCNH2 3235/4885MCHR1 2170/4885

“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.