SCHEMBL26425328

SCHEMBL26425328

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.46
CHAT P28329 1/20 0.43
MAOB P27338 6/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 3/20 0.38
FBP1 P09467 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
NFE2L2 Q16236 3/20 0.36
CHRM5 P08912 1/20 0.36
AKR1C3 P42330 1/20 0.35
ADORA2A P29274 1/20 0.34

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
SCHEMBL26425332 0.89 AHR (0.43) RELAMAOB
SCHEMBL26425331 0.85 RELA (0.40) RELAMAOBCYP1A2MAOANFE2L2
SCHEMBL26425329 0.84 RELA (0.44) RELAMAOBMAOAFBP1HRH4
SCHEMBL26425445 0.83 PDE4B (0.50) RELACHATMAOBCYP1A2CYP2C9
SCHEMBL26425326 0.83 NFE2L2 (0.50) RELAMAOBMAOAFBP1HRH4
SCHEMBL26425309 0.83 CHAT (0.42) CHATMAOBHRH4
SCHEMBL26425323 0.81 RELA (0.54) RELACYP1A2FBP1NFE2L2CHRM5
SCHEMBL26425307 0.80 NFE2L2 (0.52) MAOBMAOAFBP1HRH4NFE2L2
SCHEMBL26425338 0.80 PDE4B (0.44) MAOBMAOAFBP1HRH4
SCHEMBL26425319 0.80 PDE4A (0.41) RELACYP1A2CYP2C9NFE2L2

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 RELA 349/4885CHAT 3701/4885MAOB 3686/4885

“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.