SCHEMBL3663628

SCHEMBL3663628

Cc1ccccc1/C=C(\CCl)c1cc(F)c(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPA1 O75762 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
SCHEMBL3776627 1.00 ALDH1A1 (0.33) ALDH1A1TSHRACHEMEN1KMT2A
SCHEMBL3656538 0.86 MEN1 (0.38) ALDH1A1TSHRACHEMEN1KMT2A
SCHEMBL3778957 0.86 MEN1 (0.38) ALDH1A1TSHRACHEMEN1KMT2A
SCHEMBL3769358 0.84 TRPA1 (0.39) ALDH1A1MEN1KMT2ATRPA1
SCHEMBL3664523 0.84 TRPA1 (0.39) ALDH1A1MEN1KMT2ATRPA1
SCHEMBL3660866 0.81 CPS1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL3771354 0.81 CPS1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL3770848 0.81 PTGS2 (0.35) ALDH1A1TSHRACHEMEN1KMT2A
SCHEMBL3659363 0.81 PTGS2 (0.35) ALDH1A1TSHRACHEMEN1KMT2A
SCHEMBL3773765 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 3 patents. 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
EP-2234488-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
WO-2009077443-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 WO 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 3328/4885ACHE 1070/4885

“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.