SCHEMBL3170265

SCHEMBL3170265

CCCCCCCCC#Cc1cc(OC)ccc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PLA2G2A P14555 1/20 0.42
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
EPHX2 P34913 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
PLK1 P53350 1/20 0.39

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
SCHEMBL3168227 0.99 CTSL (0.50) CTSLCTSBCYP2C9CYP2C19CYP3A4
SCHEMBL3163166 0.95 CTSL (0.54) CTSLCTSBCYP2C9CYP2C19CYP3A4
SCHEMBL3162885 0.83 CTSL (0.44) CTSLCTSBCYP2C9CYP2C19CYP3A4
SCHEMBL3184050 0.82 CTSL (0.44) CTSLCTSBCYP2C9CYP2C19CYP3A4
SCHEMBL3163060 0.82 USP2 (0.45) CTSLCTSBCYP2C9CYP2C19CYP3A4
SCHEMBL3178312 0.80 USP2 (0.46) CTSLCTSBCYP2C9CYP2C19CYP3A4
SCHEMBL7482556 0.79 KDM4E (0.48) CTSLCTSBCYP2C9CYP2C19CYP3A4
SCHEMBL3170442 0.78 CTSL (0.47) CTSLCTSBCYP2C9CYP2C19CYP3A4
SCHEMBL3163403 0.78 TP53 (0.45) CYP2C9CYP2C19CYP3A4PLA2G2ACYP1A2
SCHEMBL31711565 0.78 CTSL (0.45) CTSLCTSBCYP2C9CYP2C19CYP3A4

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 CTSL 3377/4885CTSB 766/4885CYP2C9 1528/4885

“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.