SCHEMBL3176480

SCHEMBL3176480

CCCc1cc2cc(OC)c(F)cc2c(O)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.40
TDO2 P48775 2/20 0.37
ELANE P08246 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
IDO1 P14902 1/20 0.35
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 2/20 0.34
PDE5A O76074 1/20 0.34

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
SCHEMBL3171911 0.82 CTDSP1 (0.33) HMGCRTDO2IDO1ESR1ESR2
SCHEMBL3176269 0.79 ESR1 (0.45) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL3171970 0.79 HMGCR (0.45) HMGCRPDE4APDE4BPDE4CPDE4D
SCHEMBL3178513 0.76 ESR1 (0.49) ESR1ESR2HPGD
SCHEMBL3169090 0.75 ESR1 (0.65) ESR1ESR2
SCHEMBL3169077 0.75 ESR1 (0.65) ESR1ESR2
SCHEMBL3172132 0.72 ESR1 (0.52) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL3163108 0.71 ESR1 (0.53) PDE4APDE4BPDE4CPDE4DESR1
SCHEMBL3183711 0.71 ESR1 (0.54) ESR1ESR2ALOX5PTGS2
SCHEMBL3168425 0.69 ESR1 (0.52) ESR1ESR2

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 HMGCR 851/4885TDO2 4034/4885ELANE 295/4885

“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.