SCHEMBL3171982

SCHEMBL3171982

COc1ccc2c(O)c(-c3ccccc3)c(C(C)C)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TNKS O95271 1/20 0.40
CYP19A1 P11511 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL3168976 0.82 CYP1A2 (0.49) ALOX5CYP1A2CYP2A6ALDH1A1CYP2C9
SCHEMBL3182854 0.81 ESR1 (0.52) ALOX5CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL3176269 0.79 ESR1 (0.45) ALOX5CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL3178349 0.79 ALOX5 (0.41) ALOX5CYP1A2CYP2A6ALDH1A1CYP2C9
SCHEMBL3173270 0.78 ALOX5 (0.48) ALOX5CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL3170190 0.77 CYP1A2 (0.41) ALOX5CYP1A2CYP2A6ALDH1A1CYP2C9
SCHEMBL3172132 0.77 ESR1 (0.52) ALOX5CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL3178057 0.76 ESR1 (0.49) ALOX5CYP1A2CYP2A6ALDH1A1CYP2C9
SCHEMBL3163108 0.76 ESR1 (0.53) ALOX5CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL29120671 0.76 ALOX5 (0.53) ALOX5CYP1A2CYP2A6ALDH1A1CYP2C9

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 ALOX5 248/4885CYP1A2 262/4885CYP2A6 102/4885

“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.