SCHEMBL3773765

SCHEMBL3773765

Cc1ccccc1/C=C(\CCl)c1cc(F)c(F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
TRPA1 O75762 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL3773771 1.00 ALDH1A1 (0.33) ALDH1A1TSHRGPBAR1ACHEMEN1
SCHEMBL3659363 0.87 PTGS2 (0.35) ALDH1A1TSHRACHEMEN1KMT2A
SCHEMBL3770848 0.87 PTGS2 (0.35) ALDH1A1TSHRACHEMEN1KMT2A
SCHEMBL3776448 0.87 MEN1 (0.35) ALDH1A1TSHRGPBAR1MEN1KMT2A
SCHEMBL3661208 0.87 MEN1 (0.35) ALDH1A1TSHRGPBAR1MEN1KMT2A
SCHEMBL3775608 0.86 NFE2L2 (0.38) MEN1KMT2ACES2CES1TRPA1
SCHEMBL3662224 0.86 NFE2L2 (0.38) MEN1KMT2ACES2CES1TRPA1
SCHEMBL3661458 0.84 TRPA1 (0.39) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL3776016 0.84 TRPA1 (0.39) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL3663628 0.79 ALDH1A1 (0.33) ALDH1A1TSHRACHEMEN1KMT2A

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 ALDH1A1 20/4885TSHR 3328/4885GPBAR1 1958/4885

“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.