SCHEMBL101432

SCHEMBL101432

CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.39
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CNR1 P21554 2/20 0.35
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
P2RY10 O00398 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EPHX2 P34913 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
SCHEMBL9871733 0.95 CNR2 (0.41) CNR2MAOBMAOAALOX5ALDH1A1
SCHEMBL29145739 0.95 CNR2 (0.41) CNR2MAOBMAOAALOX5ALDH1A1
SCHEMBL2491248 0.95 CNR2 (0.41) CNR2MAOBMAOAALOX5ALDH1A1
SCHEMBL30263 0.95 CNR2 (0.41) CNR2MAOBMAOAALOX5ALDH1A1
SCHEMBL29397430 0.95 CNR2 (0.41) CNR2MAOBMAOAALOX5ALDH1A1
SCHEMBL9229225 0.95 CNR2 (0.41) CNR2MAOBMAOAALOX5ALDH1A1
SCHEMBL5630244 0.95 CNR2 (0.41) CNR2MAOBMAOAALOX5ALDH1A1
SCHEMBL5514206 0.95 ALDH1A1 (0.42) CNR2MAOBMAOAALOX5ALDH1A1
SCHEMBL906105 0.94 ALDH1A1 (0.41) CNR2MAOBMAOAALOX5ALDH1A1
SCHEMBL29768836 0.94 ALDH1A1 (0.41) CNR2MAOBMAOAALOX5ALDH1A1

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-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers BASF SE (DE) 2012-03-08 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-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers DDT, CRY1, PAH CNR2 1770/4885MAOB 357/4885MAOA 297/4885

“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.