SCHEMBL3770487

SCHEMBL3770487

Fc1ccc(C(=Cc2ccccc2Cl)CCl)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.33
GAA P10253 1/20 0.33
PPARG P37231 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31

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
SCHEMBL3656662 1.00 TRPA1 (0.38) TRPA1MAPTNPC1RAB9ACES2
SCHEMBL3661741 0.88 CES2 (0.38) TRPA1NPC1CES2CES1SMN1; SMN2
SCHEMBL3766720 0.88 CES2 (0.38) TRPA1NPC1CES2CES1SMN1; SMN2
SCHEMBL3776016 0.87 TRPA1 (0.39) TRPA1MAPTNPC1RAB9ACES2
SCHEMBL3661458 0.87 TRPA1 (0.39) TRPA1MAPTNPC1RAB9ACES2
SCHEMBL3659363 0.84 PTGS2 (0.35) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL3770848 0.84 PTGS2 (0.35) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL3775238 0.84 ABCG2 (0.45) RAB9ACES2CES1ALDH1A1HTT
SCHEMBL3664254 0.84 ABCG2 (0.45) RAB9ACES2CES1ALDH1A1HTT
SCHEMBL5050581 0.83 MAPT (0.48) TRPA1MAPTNPC1RAB9AALDH1A1

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 TRPA1 2075/4885MAPT 3389/4885NPC1 4668/4885

“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.