SCHEMBL3770848

SCHEMBL3770848

Cc1ccccc1C=C(CCl)c1ccc(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ANO1 Q5XXA6 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
SCHEMBL3659363 1.00 PTGS2 (0.35) PTGS2CES2CES1ALDH1A1TSHR
SCHEMBL3773771 0.87 ALDH1A1 (0.33) CES2CES1ALDH1A1TSHRACHE
SCHEMBL3773765 0.87 ALDH1A1 (0.33) CES2CES1ALDH1A1TSHRACHE
SCHEMBL3661741 0.87 CES2 (0.38) PTGS2CES2CES1MEN1KMT2A
SCHEMBL3766720 0.87 CES2 (0.38) PTGS2CES2CES1MEN1KMT2A
SCHEMBL3656662 0.84 TRPA1 (0.38) PTGS2CES2CES1ALDH1A1MEN1
SCHEMBL3770487 0.84 TRPA1 (0.38) PTGS2CES2CES1ALDH1A1MEN1
SCHEMBL3776448 0.82 MEN1 (0.35) PTGS2ALDH1A1TSHRMEN1KMT2A
SCHEMBL3661208 0.82 MEN1 (0.35) PTGS2ALDH1A1TSHRMEN1KMT2A
SCHEMBL3663628 0.81 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 PTGS2 376/4885CES2 295/4885CES1 739/4885

“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.