SCHEMBL3169028

SCHEMBL3169028

COc1ccc(C2=C(C)C(c3ccc(OC)cc3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
MAOA P21397 2/20 0.53
HPGD P15428 2/20 0.53
ME2 P23368 1/20 0.47
ME1 P48163 1/20 0.47
ME3 Q16798 1/20 0.47
TSHR P16473 1/20 0.44
EGFR P00533 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 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
SCHEMBL17971687 0.81 ME2 (0.54) PTGS2SMN1; SMN2NPC1TP53MAPT
SCHEMBL6450591 0.74 SMN1; SMN2 (0.46) PTGS2SMN1; SMN2NPC1TP53MAPT
SCHEMBL3176256 0.73 ALKBH3 (0.48) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL10424199 0.71 ME2 (0.69) PTGS2SMN1; SMN2NPC1TP53MAPT
SCHEMBL17971651 0.70 MAPT (0.50) PTGS2SMN1; SMN2NPC1TP53MAPT
SCHEMBL14665734 0.70 MAOA (0.58) PTGS2SMN1; SMN2NPC1TP53MAPT
Anisindione SCHEMBL29688105 0.69 RAB9A (1.00) PTGS2SMN1; SMN2NPC1TP53MAPT
Anisindione SCHEMBL49379 0.69 RAB9A (1.00) PTGS2SMN1; SMN2NPC1TP53MAPT
SCHEMBL25837780 0.69 ME2 (0.51) PTGS2SMN1; SMN2NPC1TP53MAPT
SCHEMBL20299548 0.69 ME2 (0.67) PTGS2SMN1; SMN2NPC1TP53MAPT

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 PTGS2 131/4885SMN1; SMN2 4533/4885NPC1 353/4885

“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.