SCHEMBL3776016

SCHEMBL3776016

Fc1cc(C(=Cc2ccccc2Cl)CCl)cc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 3/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
F2R P25116 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL3661458 1.00 TRPA1 (0.39) TRPA1ALDH1A1MAPTHPGDNPC1
SCHEMBL3775608 0.88 NFE2L2 (0.38) TRPA1NPC1SMN1; SMN2KMT2APKM
SCHEMBL3662224 0.88 NFE2L2 (0.38) TRPA1NPC1SMN1; SMN2KMT2APKM
SCHEMBL3770487 0.87 TRPA1 (0.38) TRPA1ALDH1A1MAPTHPGDNPC1
SCHEMBL3656662 0.87 TRPA1 (0.38) TRPA1ALDH1A1MAPTHPGDNPC1
SCHEMBL3782388 0.86 MAPT (0.40) TRPA1ALDH1A1MAPTHPGDNPC1
SCHEMBL3782384 0.86 MAPT (0.40) TRPA1ALDH1A1MAPTHPGDNPC1
SCHEMBL3773765 0.84 ALDH1A1 (0.33) TRPA1ALDH1A1KMT2ACES2CES1
SCHEMBL3773771 0.84 ALDH1A1 (0.33) TRPA1ALDH1A1KMT2ACES2CES1
SCHEMBL5050582 0.81 MAPT (0.48) TRPA1ALDH1A1MAPTHPGDNPC1

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 2075/4885ALDH1A1 20/4885MAPT 3389/4885

“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.