SCHEMBL3171995

SCHEMBL3171995

COc1ccc(-c2c(C)cc3ccc(OC)cc3c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX5 P09917 2/20 0.43
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PLA2G2A P14555 1/20 0.41
PTGS1 P23219 1/20 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
SCHEMBL3178792 0.88 MAOB (0.46) MAOBMEN1KMT2AALOX5NPC1
SCHEMBL3168976 0.79 CYP1A2 (0.49) MAOBMEN1KMT2AALOX5NPC1
SCHEMBL12760662 0.76 ALOX5 (0.45) MEN1KMT2AALOX5PTGS1PTGS2
SCHEMBL3162945 0.75 ACLY (0.43) MEN1KMT2ATP53MAPK1SMN1; SMN2
SCHEMBL6088276 0.74 SMN1; SMN2 (0.49) IDO1TDO2MEN1KMT2ANPC1
SCHEMBL8499507 0.72 NPC1 (0.55) IDO1TDO2NPC1TP53MAPK1
SCHEMBL18270053 0.72 GPR84 (0.51) ALOX5NPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL3162873 0.72 ALDH1A1 (0.46) ALOX5SMN1; SMN2ESR2POLBKDM4E
SCHEMBL12760868 0.71 TUBB4A (0.51) MEN1KMT2AALOX5SMN1; SMN2HSD17B1
SCHEMBL27712556 0.71 ALOX5 (0.53) ALOX5NPC1CASP3RAB9ASMN1; SMN2

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 1227/4885IDO1 3779/4885TDO2 4034/4885

“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.