SCHEMBL4621596

SCHEMBL4621596

O=c1oc2cc(O)ccc2c(Cc2ccc(OCCN3CCCCCC3)cc2)c1-c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.55
ESR2 Q92731 3/20 0.49
XDH P47989 2/20 0.46

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
SCHEMBL5417604 0.99 ESR1 (0.54) ESR1ESR2XDH
SCHEMBL14506970 0.91 ESR1 (0.55) ESR1ESR2XDH
SCHEMBL5422322 0.91 ESR1 (0.55) ESR1ESR2XDH
SCHEMBL5422430 0.90 ESR1 (0.53) ESR1
SCHEMBL14428679 0.90 ESR1 (0.58) ESR1ESR2XDH
SCHEMBL503003 0.89 ESR1 (0.58) ESR1ESR2XDH
SCHEMBL4619222 0.88 ESR1 (0.55) ESR1ESR2XDH
SCHEMBL5416855 0.87 ESR1 (0.54) ESR1ESR2XDH
SCHEMBL4621568 0.87 ESR1 (0.55) ESR1ESR2XDH
SCHEMBL4641975 0.86 ESR1 (0.68) ESR1ESR2

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-1899316-A1 BENZOPYRANONE COMPOUNDS FOR TREATING CANCER Signal Pharmaceuticals LLC (US) 2008-03-19 EP disclosed
US-20070191343-A1 4-((4-(2-Azaperhydroepinylethoxy)phenyl)methyl)-3-2(2,4-dichlorophenyl)-7-hydroxychromen-2-one, pharmaceutically acceptable salts thereof and methods of use therewith SIGNAL PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070123511-A1 Benzopyranone compounds, compositions thereof, and methods for treating or preventing cancer SIGNAL PHARMACEUTICALS LLC 2007-05-31 US disclosed
WO-2007002272-A1 BENZOPYRANONE COMPOUNDS FOR TREATING CANCER SIGNAL PHARMACEUTICALS, LLC (US) 2007-01-04 WO disclosed
WO-2007002272-A1 BENZOPYRANONE COMPOUNDS FOR TREATING CANCER SIGNAL PHARMACEUTICALS, LLC (US) 2007-01-04 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 (2 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-20070123511-A1 Benzopyranone compounds, compositions thereof, and methods for treating or preventing cancer BRCA1, RB1, TP53 ESR1 343/4885ESR2 515/4885XDH 354/4885
US-20070191343-A1 4-((4-(2-Azaperhydroepinylethoxy)phenyl)methyl)-3-2(2,4-dichlorophenyl)-7-hydroxychromen-2-one, pharmaceutically acceptable salts thereof and methods of use therewith CYP3A43, CYP2D6, CYP2J2 ESR1 697/4885ESR2 406/4885XDH 531/4885

“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.