SCHEMBL3176256

SCHEMBL3176256

COc1cccc(C2=C(C)C(c3cccc(OC)c3)C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
MAOB P27338 2/20 0.46
BRD4 O60885 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PGR P06401 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 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
SCHEMBL8958196 0.73 RAB9A (0.67) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL3169028 0.73 PTGS2 (0.53) ALKBH3MAOBGAAKDM4EALDH1A1
SCHEMBL196765 0.73 CYP3A4 (0.73) HDAC4HDAC8MAOBBRD4GAA
SCHEMBL29489425 0.73 CYP3A4 (0.73) HDAC4HDAC8MAOBBRD4GAA
SCHEMBL10853905 0.71 KDM4E (0.47) KDM4EALDH1A1HPGDCYP3A4CYP2D6
SCHEMBL10342746 0.71 CYP19A1 (0.44) HDAC4HDAC8BACE1CYP19A1DDB1
Hydrogen Sulfide SCHEMBL28640169 0.71 CYP3A4 (0.70) HDAC4HDAC8MAOBBRD4GAA
SCHEMBL29628977 0.71 CYP3A4 (0.77) HDAC4HDAC8MAOBBRD4GAA
Ammonia Solution, Strong SCHEMBL27960505 0.71 CYP3A4 (0.70) HDAC4HDAC8MAOBBRD4GAA
SCHEMBL16937274 0.70 DDB1 (0.52) GAAKDM4EALDH1A1GLAHPGD

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 ALKBH3 4215/4885HDAC4 760/4885HDAC8 585/4885

“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.