SCHEMBL3172983

SCHEMBL3172983

COCOc1c(Br)c(CCC(F)(F)F)cc2cc(OC)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3A Q14432 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC2A1 P11166 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31

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
SCHEMBL3163292 0.85 PDE10A (0.38) MTNR1AMTNR1BPDE5APDE4APDE1A
SCHEMBL3172292 0.82 ESR1 (0.40) MTNR1AMTNR1BPDE5APDE4APDE1A
SCHEMBL3168543 0.81 TUBB4A (0.40) MTNR1AMTNR1BPDE5APDE4APDE1A
SCHEMBL3168530 0.77 MAPT (0.36) MTNR1AMTNR1BPDE5APDE4APDE1A
SCHEMBL3171966 0.74 CYP1A2 (0.36) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL5604833 0.73 PDE5A (0.36) MTNR1AMTNR1BPDE5APDE4APDE1A
SCHEMBL3162844 0.68 ESR1 (0.42) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL3171862 0.67 ESR1 (0.44) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL3169948 0.67 ALOX5 (0.41) MTNR1AMTNR1BPDE5APDE4APDE1A
SCHEMBL3172064 0.67 HMGCR (0.35) MTNR1A

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 MTNR1A 31/4885MTNR1B 23/4885PDE5A 1398/4885

“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.