SCHEMBL4639650

SCHEMBL4639650

C=CCc1c(O)ccc2c(Cc3ccc(OCCC4CCCN4)cc3)c(-c3ccc(C(F)(F)F)cc3)c(=O)oc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.42
LTA4H P09960 1/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
VKORC1 Q9BQB6 1/20 0.33
CHEK2 O96017 1/20 0.33

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
SCHEMBL4639645 0.85 ESR1 (0.44) ESR1LTA4H
SCHEMBL4639760 0.85 ESR1 (0.45) ESR1LTA4HLMNA
SCHEMBL4639651 0.85 ESR1 (0.42) ESR1LMNAMAPTTP53VKORC1
SCHEMBL4640167 0.83 ESR1 (0.57) ESR1
SCHEMBL4640636 0.82 ESR1 (0.45) ESR1LTA4HVKORC1
SCHEMBL6152326 0.80 CYP19A1 (0.51) ESR1
SCHEMBL4639556 0.77 ESR1 (0.42) ESR1LTA4H
SCHEMBL4639644 0.77 LTA4H (0.45) ESR1LTA4HTP53CHEK2
SCHEMBL4639606 0.77 ESR1 (0.41) ESR1LTA4H
SCHEMBL14459770 0.73 ESR1 (0.55) ESR1LTA4H

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 ESR1 1/4885LTA4H 2205/4885LMNA 1958/4885

“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.