SCHEMBL3178312

SCHEMBL3178312

CCCCCC#Cc1cc(OC)ccc1C(=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
CNR2 P34972 5/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL3163060 0.99 USP2 (0.45) USP2TP53CNR2CTSLCTSB
SCHEMBL3172022 0.97 CTSL (0.48) USP2TP53CNR2CTSLCTSB
SCHEMBL3168152 0.83 USP2 (0.55) USP2TP53CNR2CTSLCTSB
SCHEMBL3162969 0.82 USP2 (0.48) USP2TP53CNR2SMN1; SMN2NPC1
SCHEMBL3168227 0.81 CTSL (0.50) CTSLCTSBCYP3A4ALDH1A1HPGD
SCHEMBL3170265 0.80 CTSL (0.49) CTSLCTSBCYP3A4ALDH1A1HPGD
SCHEMBL3162905 0.80 CYP3A4 (0.53) USP2TP53CNR2SMN1; SMN2CYP3A4
SCHEMBL3163166 0.77 CTSL (0.54) CTSLCTSBSMN1; SMN2NPC1RAB9A
SCHEMBL3184050 0.77 CTSL (0.44) CTSLCTSBSMN1; SMN2NPC1RAB9A
SCHEMBL3163401 0.77 USP2 (0.48) USP2TP53SMN1; SMN2NPC1RAB9A

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.