SCHEMBL3171970

SCHEMBL3171970

CCCc1cc2cc(OC)c(F)cc2c(O)c1Br

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.45
PDE10A Q9Y233 1/20 0.35
MTNR1A P48039 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ALOX5 P09917 6/20 0.35
PTGS2 P35354 4/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL3172064 0.80 HMGCR (0.35) HMGCRPDE10AMTNR1ACYP19A1
SCHEMBL3176480 0.79 HMGCR (0.40) HMGCRPDE4APDE4BPDE4CPDE4D
SCHEMBL3172933 0.75 TUBB4A (0.43) HMGCRPDE10AMTNR1APDE4APDE4B
SCHEMBL12948355 0.69 HMGCR (0.46) HMGCRMTNR1APDE4APDE4BPDE4C
SCHEMBL19737044 0.68 HMGCR (0.45) HMGCRALOX5PTGS2
SCHEMBL12844176 0.65 HMGCR (0.53) HMGCRMTNR1A
SCHEMBL8156367 0.65 HMGCR (0.68) HMGCRALOX5GABRA1GABRB2GABRA5
SCHEMBL19737045 0.65 HMGCR (0.62) HMGCRALOX5GABRA1GABRB2GABRA5
SCHEMBL20681233 0.65 HMGCR (0.41) HMGCRGABRA1GABRB2
SCHEMBL1276493 0.64 HMGCR (1.00) HMGCRALOX5PTGS2GABRA1GABRB2

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 851/4885PDE10A 1252/4885MTNR1A 31/4885

“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.