SCHEMBL3769986

SCHEMBL3769986

Cc1cccc(C=C(CCl)c2ccc(F)cc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.43
PPARG P37231 2/20 0.39
ACHE P22303 1/20 0.39
PTGS2 P35354 2/20 0.37
CTSB P07858 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
NFE2L2 Q16236 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3769981 1.00 PTGS1 (0.43) PTGS1PPARGACHEPTGS2CTSB
SCHEMBL3768846 0.87 CES2 (0.39) PTGS1PTGS2CES2CES1TDP1
SCHEMBL3768849 0.87 CES2 (0.39) PTGS1PTGS2CES2CES1TDP1
SCHEMBL3768883 0.85 PTGS1 (0.41) PTGS1PPARGPTGS2CES2CES1
SCHEMBL3768878 0.85 PTGS1 (0.41) PTGS1PPARGPTGS2CES2CES1
SCHEMBL3770122 0.85 NFE2L2 (0.45) PTGS1PPARGACHEPTGS2CES2
SCHEMBL3770118 0.85 NFE2L2 (0.45) PTGS1PPARGACHEPTGS2CES2
SCHEMBL3769276 0.80 CES2 (0.40) PTGS1CES2CES1NPC1NFE2L2
SCHEMBL3769281 0.80 CES2 (0.40) PTGS1CES2CES1NPC1NFE2L2
SCHEMBL3762528 0.80 CES2 (0.42) PTGS1PTGS2CES2CES1TDP1

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 PTGS1 259/4885PPARG 2216/4885ACHE 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.