SCHEMBL3768846

SCHEMBL3768846

Cc1cc(C)cc(/C=C(\CCl)c2ccc(F)cc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
PTGS1 P23219 4/20 0.37
PTGS2 P35354 3/20 0.37
NFE2L2 Q16236 1/20 0.36
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACKR3 P25106 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3768849 1.00 CES2 (0.39) CES2CES1PTGS1PTGS2NFE2L2
SCHEMBL3770118 0.88 NFE2L2 (0.45) CES2CES1PTGS1PTGS2NFE2L2
SCHEMBL3770122 0.88 NFE2L2 (0.45) CES2CES1PTGS1PTGS2NFE2L2
SCHEMBL3769986 0.87 PTGS1 (0.43) CES2CES1PTGS1PTGS2NFE2L2
SCHEMBL3769981 0.87 PTGS1 (0.43) CES2CES1PTGS1PTGS2NFE2L2
SCHEMBL3762528 0.86 CES2 (0.42) CES2CES1PTGS1PTGS2NFE2L2
SCHEMBL3762533 0.86 CES2 (0.42) CES2CES1PTGS1PTGS2NFE2L2
SCHEMBL3776425 0.84 CES2 (0.40) CES2CES1PTGS1PTGS2ACKR3
SCHEMBL3776421 0.84 CES2 (0.40) CES2CES1PTGS1PTGS2ACKR3
SCHEMBL3769281 0.81 CES2 (0.40) CES2CES1PTGS1NFE2L2

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 CES2 295/4885CES1 739/4885PTGS1 259/4885

“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.