SCHEMBL3178441

SCHEMBL3178441

CCCCCc1cc2cc(OC)ccc2c(Oc2ccc(C=O)cc2)c1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.67
ESR2 Q92731 16/20 0.67
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AHR P35869 1/20 0.35

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
SCHEMBL3179081 0.99 ESR1 (0.68) ESR1ESR2ALOX5ALDH1A1MAPT
SCHEMBL3178718 0.97 ESR1 (0.67) ESR1ESR2ALOX5ALDH1A1MAPT
SCHEMBL3176317 0.93 ESR1 (0.58) ESR1ESR2ALOX5ALDH1A1MAPT
SCHEMBL3171859 0.90 ESR1 (0.54) ESR1ESR2ALOX5ALDH1A1MAPT
SCHEMBL3168847 0.89 ESR1 (0.85) ESR1ESR2
SCHEMBL3168858 0.89 ESR1 (0.85) ESR1ESR2
SCHEMBL3163197 0.88 ESR1 (0.85) ESR1ESR2
SCHEMBL3163205 0.88 ESR1 (0.85) ESR1ESR2
SCHEMBL3181197 0.87 ESR1 (0.76) ESR1ESR2ALDH1A1MAPT
SCHEMBL3170191 0.86 ESR1 (0.76) ESR1ESR2ALOX5ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649093-B2 (2E)-3-[4-[(6-hydroxy-3-methyl-2-phenyl-1-naphthalenyl)oxy]-2-(trifluoromethyl)phenyl]-2-propenoic acid; menopausal or postmenopausal disorders, vasomotor symptoms, vaginal atrophy, atrophic vaginitis, endometriosis, female sexual dysfunction, breast cancer, depression, diabetes, osteoporosis Glaxo Smith Kline LLC (US) 2010-01-19 US disclosed
US-20070276000-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2007-11-29 US disclosed
EP-1773750-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-18 EP disclosed
WO-2006002185-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-01-05 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-20070276000-A1 CHEMICAL COMPOUNDS GPER1, ESR2, ESR1 ESR1 3/4885ESR2 2/4885ALOX5 248/4885

“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.