SCHEMBL3464539

SCHEMBL3464539

N#Cc1ccc(C=Cc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
FBP1 P09467 1/20 0.42
EPHX2 P34913 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EPAS1 Q99814 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3464533 1.00 TRPA1 (0.46) TRPA1SCN5ASCN9AFBP1EPHX2
SCHEMBL201174 0.89 TRPA1 (0.53) TRPA1SCN5ASCN9AEPHX2ALDH1A1
SCHEMBL13790221 0.84 CYP2D6 (0.50) TRPA1EPHX2CYP2D6MAPTKMT2A
SCHEMBL2803766 0.83 KIF11 (0.57) TRPA1SCN5ASCN9AEPHX2ALDH1A1
SCHEMBL921865 0.83 TRPA1 (0.49) TRPA1SCN5ASCN9AEPHX2ALDH1A1
SCHEMBL1352894 0.83 TRPA1 (0.38) TRPA1SCN5ASCN9AEPHX2CYP2D6
SCHEMBL1352895 0.83 TRPA1 (0.38) TRPA1SCN5ASCN9AEPHX2CYP2D6
Hydrochloric Acid SCHEMBL4599674 0.81 KIF11 (0.55) TRPA1SCN5ASCN9AEPHX2ALDH1A1
SCHEMBL1354351 0.81 NFE2L2 (0.51)
SCHEMBL1354353 0.81 NFE2L2 (0.51)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396338-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-03-26 EP disclosed
US-8394774-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-03-12 US disclosed
US-20100204165-A1 Pesticidal Compositions DOW AGROSCIENCES LLC (US) 2010-08-12 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-20100204165-A1 Pesticidal Compositions ACHE, DDT, PTMS TRPA1 380/4885SCN5A 1874/4885SCN9A 1543/4885

“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.