SCHEMBL3170442

SCHEMBL3170442

CCCCC#Cc1cc(OC)ccc1C(=O)N(C)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35

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
SCHEMBL3184050 0.96 CTSL (0.44) CTSLCTSBCLK1DYRK1ADYRK1B
SCHEMBL3162885 0.95 CTSL (0.44) CTSLCTSBCLK1DYRK1ADYRK1B
SCHEMBL3163166 0.83 CTSL (0.54) CTSLCTSBHDAC3HDAC1HDAC2
SCHEMBL3170016 0.83 CYP3A4 (0.45) CTSLCTSBKDM4ELMNASMN1; SMN2
SCHEMBL3169021 0.82 CLK1 (0.41) CLK1DYRK1ADYRK1BNPC1RAB9A
SCHEMBL3168227 0.79 CTSL (0.50) CTSLCTSBHDAC3HDAC1HDAC2
SCHEMBL3170265 0.78 CTSL (0.49) CTSLCTSBHDAC3HDAC1HDAC2
SCHEMBL3172022 0.77 CTSL (0.48) CTSLCTSBNPC1RAB9AKDM4E
SCHEMBL31711565 0.76 CTSL (0.45) CTSLCTSBHDAC3HDAC1HDAC2
SCHEMBL3172267 0.76 CLK1 (0.42) 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 CTSL 3377/4885CTSB 766/4885CLK1 4426/4885

“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.