SCHEMBL3768896

SCHEMBL3768896

Fc1ccc(F)c(C(=Cc2ccccc2F)CCl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.47
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
TRPA1 O75762 1/20 0.36
AR P10275 1/20 0.35
MDM2 Q00987 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL3768892 1.00 NFE2L2 (0.47) NFE2L2CES2CES1TRPA1AR
SCHEMBL3662246 0.88 MDM2 (0.40) NFE2L2CES2CES1TRPA1AR
SCHEMBL3762718 0.88 MDM2 (0.40) NFE2L2CES2CES1TRPA1AR
SCHEMBL3782296 0.88 NFE2L2 (0.47) NFE2L2CES2CES1TRPA1
SCHEMBL3782287 0.88 NFE2L2 (0.47) NFE2L2CES2CES1TRPA1
SCHEMBL3778957 0.87 MEN1 (0.38) NFE2L2CES2CES1ARMDM2
SCHEMBL3656538 0.87 MEN1 (0.38) NFE2L2CES2CES1ARMDM2
SCHEMBL3769663 0.85 NFE2L2 (0.41) NFE2L2TRPA1NPC1
SCHEMBL3662353 0.85 NFE2L2 (0.41) NFE2L2TRPA1NPC1
SCHEMBL3772509 0.81 NFE2L2 (0.46) NFE2L2ARNPC1

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 NFE2L2 825/4885CES2 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.