SCHEMBL3178792

SCHEMBL3178792

COc1ccc(-c2c(C)cc3cc(OC)ccc3c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
ALOX5 P09917 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3168976 0.91 CYP1A2 (0.49) MAOBALOX5MEN1KMT2ANPC1
SCHEMBL3171995 0.88 MAOB (0.46) MAOBALOX5PTGS1PTGS2MEN1
SCHEMBL3162945 0.87 ACLY (0.43) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL3178405 0.82 KDM4E (0.44) PTGS1KDM4EALDH1A1HPGDMAPK1
SCHEMBL6088276 0.78 SMN1; SMN2 (0.49) MEN1KMT2ANPC1MAPTTP53
SCHEMBL3170125 0.78 KDM4E (0.43) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL7705906 0.77 LTA4H (0.44) MAOBALOX5MEN1KMT2ANPC1
SCHEMBL3162982 0.76 NPC1 (0.38) ALOX5PTGS2MEN1KMT2ANPC1
SCHEMBL12760868 0.75 TUBB4A (0.51) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL3178444 0.73 ESR1 (0.47) ALOX5KDM4EALDH1A1HPGDHSD17B10

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 MAOB 1227/4885ALOX5 248/4885PTGS1 112/4885

“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.