SCHEMBL3172267

SCHEMBL3172267

COc1ccc(C(=O)N(C)OC)c(C#CC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ACHE P22303 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL3178340 0.82 KDM4E (0.44) CA1CA2NPC1RAB9ACYP3A4
SCHEMBL3169021 0.77 CLK1 (0.41) CLK1DYRK1ADYRK1BNPC1RAB9A
SCHEMBL3170442 0.76 CTSL (0.47) CLK1DYRK1ADYRK1BNPC1RAB9A
SCHEMBL2201245 0.75 SMN1; SMN2 (0.50) CA1CA2NPC1RAB9AALDH1A1
SCHEMBL3184050 0.75 CTSL (0.44) CLK1DYRK1ADYRK1BNPC1RAB9A
SCHEMBL3163401 0.75 USP2 (0.48) ACHENPC1RAB9ACYP3A4ALDH1A1
SCHEMBL3162885 0.74 CTSL (0.44) CLK1DYRK1ADYRK1BNPC1RAB9A
SCHEMBL2201453 0.74 CYP1A2 (0.48) CA1CA2NPC1RAB9ACYP3A4
SCHEMBL12857970 0.72 HTT (0.53) CLK1DYRK1ADYRK1BNPC1RAB9A
SCHEMBL4841763 0.72 NPC1 (0.57) CLK1DYRK1ADYRK1BNPC1RAB9A

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 2 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

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 CLK1 4426/4885DYRK1A 4251/4885DYRK1B 4375/4885

“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.