SCHEMBL26425331

SCHEMBL26425331

CB1OCc2cc(/C=C/c3ccccc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
SRD5A1 P18405 3/20 0.38
SRD5A2 P31213 1/20 0.38
TUBB1 Q9H4B7 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
NFE2L2 Q16236 2/20 0.36
CYP19A1 P11511 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
TRPA1 O75762 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
SCHEMBL26425319 0.88 PDE4A (0.41) RELACYP1A2TUBB1PDE4APDE4B
SCHEMBL26425329 0.87 RELA (0.44) RELAPDE4APDE4BPDE4CPDE4D
SCHEMBL26425328 0.85 RELA (0.46) RELACYP1A2NFE2L2MAOAMAOB
SCHEMBL26425326 0.85 NFE2L2 (0.50) RELANFE2L2MAOAMAOB
SCHEMBL26425323 0.83 RELA (0.54) RELACYP1A1CYP1A2CYP1B1TUBB1
SCHEMBL26425307 0.82 NFE2L2 (0.52) NFE2L2MAOAMAOB
SCHEMBL26425338 0.82 PDE4B (0.44) PDE4APDE4BPDE4CPDE4DMAOA
SCHEMBL26425332 0.82 AHR (0.43) RELAPDE4APDE4BPDE4CPDE4D
SCHEMBL26425309 0.82 CHAT (0.42) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL26425304 0.81 PDE4B (0.56) PDE4APDE4BPDE4CPDE4D

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 349/4885CYP1A1 4837/4885CYP1A2 4846/4885

“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.