SCHEMBL25870288

SCHEMBL25870288

Cc1cc(/C=C/C=O)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
NOTUM Q6P988 1/20 0.35
XDH P47989 2/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
HTT P42858 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNB3 Q8WWL7 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
SCHEMBL28467648 0.87 GABBR2 (0.44) GABBR2GABBR1NFE2L2ALDH1A1TRPA1
SCHEMBL6554663 0.87 GABBR2 (0.44) GABBR2GABBR1NFE2L2ALDH1A1TRPA1
SCHEMBL3717943 0.87 GABBR2 (0.44) GABBR2GABBR1NFE2L2ALDH1A1TRPA1
SCHEMBL8011123 0.84 GABBR2 (0.51) GABBR2GABBR1ALDH1A1TRPA1LMNA
SCHEMBL8011119 0.84 GABBR2 (0.51) GABBR2GABBR1ALDH1A1TRPA1LMNA
SCHEMBL2474610 0.81 NFE2L2 (0.41) NFE2L2RAPGEF4NOTUMPGK1PGK2
SCHEMBL6441622 0.80 GABBR2 (0.48) GABBR2GABBR1ALDH1A1TRPA1LMNA
SCHEMBL6441626 0.80 GABBR2 (0.48) GABBR2GABBR1ALDH1A1TRPA1LMNA
SCHEMBL21399871 0.79 NFE2L2 (0.43) NFE2L2RAPGEF4NOTUMPGK1PGK2
SCHEMBL19166263 0.79 NFE2L2 (0.43) NFE2L2RAPGEF4NOTUMPGK1PGK2

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-20230220427-A1 PROCESSES RELATED TO FORMATION OF ARYLCYCLOPROPYL CARBOXYLIC ACIDS CORTEVA AGRISCIENCE LLC (US) 2023-07-13 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-20230220427-A1 PROCESSES RELATED TO FORMATION OF ARYLCYCLOPROPYL CARBOXYLIC ACIDS DDT, PCCA, DDC GABBR2 888/4885GABBR1 635/4885NFE2L2 2429/4885

“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.