SCHEMBL3769989

SCHEMBL3769989

Fc1cc(Cl)ccc1C(=Cc1ccccc1Cl)CCl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TRPA1 O75762 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP11B2 P19099 3/20 0.34
CYP11B1 P15538 2/20 0.34
NFE2L2 Q16236 1/20 0.33
LMNA P02545 1/20 0.33
GPR183 P32249 1/20 0.33
GPR27 Q9NS67 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MGLL Q99685 1/20 0.33
KCNMA1 Q12791 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
GRIK1 P39086 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
SCHEMBL1023309 1.00 ALDH1A1 (0.37) ALDH1A1TRPA1MAPK1HIF1ACYP11B2
SCHEMBL3661934 0.90 NFE2L2 (0.41) ALDH1A1TRPA1MAPK1HIF1ACYP11B2
SCHEMBL3768756 0.90 NFE2L2 (0.41) ALDH1A1TRPA1MAPK1HIF1ACYP11B2
SCHEMBL3776287 0.89 NFE2L2 (0.38) TRPA1NFE2L2GAA
SCHEMBL3662395 0.89 NFE2L2 (0.38) TRPA1NFE2L2GAA
SCHEMBL3769358 0.85 TRPA1 (0.39) ALDH1A1TRPA1LMNAABCG2MEN1
SCHEMBL3664523 0.85 TRPA1 (0.39) ALDH1A1TRPA1LMNAABCG2MEN1
SCHEMBL3762718 0.83 MDM2 (0.40) ALDH1A1TRPA1NFE2L2MEN1KMT2A
SCHEMBL3662246 0.83 MDM2 (0.40) ALDH1A1TRPA1NFE2L2MEN1KMT2A
SCHEMBL3662379 0.83 ABCG2 (0.46) ALDH1A1NFE2L2ABCG2

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-20120220455-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them BASF SE (DE) 2012-08-30 US disclosed
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US disclosed
US-20090305887-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them BASF SE (DE) 2009-12-10 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 (3 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-20090305887-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them CBR3, PFAS, CBR1 ALDH1A1 559/4885TRPA1 272/4885MAPK1 1999/4885
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 ALDH1A1 20/4885TRPA1 2075/4885MAPK1 3255/4885
US-20120220455-A1 Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them CBR3, PFAS, CBR1 ALDH1A1 559/4885TRPA1 272/4885MAPK1 1999/4885

“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.