SCHEMBL5430438

SCHEMBL5430438

O=c1oc2cc(O)ccc2c(Cc2ccc(OCCBr)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.70
ESR2 Q92731 1/20 0.70
CYP19A1 P11511 1/20 0.58
PTPN1 P18031 1/20 0.46
ACP1 P24666 1/20 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
SCHEMBL14428675 0.90 ESR1 (0.63) ESR1ESR2CYP19A1PTPN1ACP1
SCHEMBL5416886 0.89 CYP19A1 (0.75) ESR1ESR2CYP19A1
SCHEMBL4639584 0.88 ESR1 (0.54) ESR1ESR2CYP19A1
SCHEMBL6810576 0.86 ESR1 (0.68) ESR1ESR2CYP19A1
SCHEMBL4641975 0.85 ESR1 (0.68) ESR1ESR2CYP19A1
Hydrochloric Acid SCHEMBL5417631 0.85 ESR1 (0.67) ESR1ESR2CYP19A1
SCHEMBL4641971 0.83 ESR1 (0.59) ESR1ESR2CYP19A1
SCHEMBL12729873 0.82 ESR1 (1.00) ESR1ESR2CYP19A1PTPN1ACP1
SCHEMBL5428058 0.82 CYP19A1 (0.81) ESR1ESR2CYP19A1
SCHEMBL13713067 0.79 ESR1 (0.72) ESR1ESR2CYP19A1PTPN1ACP1

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
US-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith MCKIE JEFFREY A 2007-01-18 US disclosed
US-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith MCKIE JEFFREY A 2007-01-18 US disclosed
US-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith MCKIE JEFFREY A 2007-01-18 US disclosed
EP-1497277-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, Inc. (US) 2005-01-19 EP disclosed
US-20040092572-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith NOVARTIS AG (CH) 2004-05-13 US disclosed
WO-2003089422-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-30 WO disclosed
US-6620838-B1 Anticarcinogenic, antimestasis, and antiarthritic agents; osteoporosis and endometriosis treatment SIGNAL PHARMACEUTICALS, INC. 2003-09-16 US 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-20070015817-A1 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith ESR2, CYP19A1, ESRRA ESR1 4/4885ESR2 1/4885CYP19A1 2/4885
US-20040092572-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith ESR2, ESRRA, ESR1 ESR1 3/4885ESR2 1/4885CYP19A1 6/4885

“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.