SCHEMBL26425326

SCHEMBL26425326

CB1OCc2cc(/C=C/c3cccc(F)c3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.50
RELA Q04206 1/20 0.46
PTGS1 P23219 3/20 0.44
NQO2 P16083 1/20 0.44
PTGS2 P35354 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PDE3A Q14432 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.37
FBP1 P09467 1/20 0.37
APP P05067 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL26425331 0.85 RELA (0.40) NFE2L2RELAMAOBMAOA
SCHEMBL26425329 0.84 RELA (0.44) NFE2L2RELAPTGS1PTGS2MAOB
SCHEMBL26425440 0.83 CA1 (0.63) NFE2L2RELAPTGS1NQO2PTGS2
SCHEMBL26425328 0.83 RELA (0.46) NFE2L2RELAMAOBMAOAFBP1
SCHEMBL26425307 0.83 NFE2L2 (0.52) NFE2L2MAOBMAOAFBP1HRH4
SCHEMBL26425323 0.81 RELA (0.54) NFE2L2RELANQO2FBP1
SCHEMBL26425314 0.81 PDE4B (0.38) NFE2L2PTGS1NQO2CA1CA2
SCHEMBL26425338 0.80 PDE4B (0.44) PDE3AMAOBMAOAFBP1HRH4
SCHEMBL26425319 0.80 PDE4A (0.41) NFE2L2RELAPTGS1PTGS2CA1
SCHEMBL10053233 0.78 CA1 (0.62) CA1CA2PDE3A

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-20230129381-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF ANTICANCER-DRUG RESISTANT CANCERS THE GEORGE WASHINGTON UNIVERSITY 2023-04-27 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-20230129381-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF ANTICANCER-DRUG RESISTANT CANCERS TP53, ANXA5, MCL1 NFE2L2 2115/4885RELA 349/4885PTGS1 2360/4885

“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.