SCHEMBL3170281

SCHEMBL3170281

COc1ccc2c(c1)CC(C(C)C)CC2=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 1/20 0.46
CYP19A1 P11511 6/20 0.45
MAOB P27338 6/20 0.45
CYP3A4 P08684 1/20 0.45
DRD2 P14416 1/20 0.45
ACHE P22303 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL13533178 0.80 DRD2 (0.51) HTR2CHTR2BCYP19A1DRD2ACHE
SCHEMBL12043649 0.80 METAP1 (0.56) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL31619577 0.80 ALDH1A1 (0.55) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL1699503 0.80 ALDH1A1 (0.55) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL10249135 0.78 LMNA (0.38) KDM4EALDH1A1MAOBCYP3A4LMNA
SCHEMBL29194896 0.78 METAP1 (0.50) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL9523559 0.75 MAOB (0.56) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL344573 0.75 CYP19A1 (0.50) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL344572 0.75 CYP19A1 (0.50) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL10346056 0.74 ACHE (0.47) METAP1HTR2AHTR2CHTR2BCYP19A1

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 METAP1 3221/4885KDM4E 1631/4885ALDH1A1 586/4885

“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.