SCHEMBL3168152

SCHEMBL3168152

CCCCC#Cc1ccccc1C(=O)Cc1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
CNR2 P34972 2/20 0.50
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
APEX1 P27695 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL3162905 0.87 CYP3A4 (0.53) USP2TP53CNR2CYP3A4SMN1; SMN2
SCHEMBL3172022 0.86 CTSL (0.48) USP2TP53CNR2HSP90AA1CYP3A4
SCHEMBL3175798 0.85 CNR2 (0.48) USP2TP53CNR2CYP3A4SMN1; SMN2
SCHEMBL3178312 0.83 USP2 (0.46) USP2TP53CNR2HSP90AA1CYP3A4
SCHEMBL3163060 0.82 USP2 (0.45) USP2TP53CNR2HSP90AA1CYP3A4
SCHEMBL3177998 0.77 CYP2C19 (0.52) TP53CYP3A4SMN1; SMN2CYP2C9CYP2C19
SCHEMBL19331451 0.75 KDM4E (0.56) CYP3A4SMN1; SMN2CYP2C9CYP2C19CYP1A2
SCHEMBL3249278 0.74 APEX1 (0.46) CYP3A4SMN1; SMN2CYP2C9CYP2C19CYP1A2
SCHEMBL3172051 0.73 USP2 (0.47) USP2TP53CYP3A4SMN1; SMN2MAPT
SCHEMBL3170016 0.73 CYP3A4 (0.45) TP53CYP3A4SMN1; SMN2CYP2C9CYP2C19

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 USP2 2754/4885TP53 1759/4885CNR2 56/4885

“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.