SCHEMBL3775608

SCHEMBL3775608

Fc1ccccc1C=C(CCl)c1cc(F)c(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.38
CYP1A2 P05177 2/20 0.38
TRPA1 O75762 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 1/20 0.35
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33

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
SCHEMBL3662224 1.00 NFE2L2 (0.38) NFE2L2CYP1A2TRPA1CYP3A4CYP2C9
SCHEMBL3661458 0.88 TRPA1 (0.39) TRPA1NPC1MEN1PKMKMT2A
SCHEMBL3776016 0.88 TRPA1 (0.39) TRPA1NPC1MEN1PKMKMT2A
SCHEMBL3773771 0.86 ALDH1A1 (0.33) CYP1A2TRPA1CYP3A4CYP2C9CYP2C19
SCHEMBL3773765 0.86 ALDH1A1 (0.33) CYP1A2TRPA1CYP3A4CYP2C9CYP2C19
SCHEMBL3766720 0.86 CES2 (0.38) NFE2L2CYP1A2TRPA1CYP3A4CYP2C9
SCHEMBL3661741 0.86 CES2 (0.38) NFE2L2CYP1A2TRPA1CYP3A4CYP2C9
SCHEMBL2799258 0.75 MEN1 (0.37) CYP1A2TRPA1CYP2C9CYP2C19MEN1
SCHEMBL2799262 0.75 MEN1 (0.37) CYP1A2TRPA1CYP2C9CYP2C19MEN1
SCHEMBL3782287 0.75 NFE2L2 (0.47) NFE2L2TRPA1L3MBTL1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 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-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 NFE2L2 825/4885CYP1A2 28/4885TRPA1 2075/4885

“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.