SCHEMBL13765282

SCHEMBL13765282

CN(CC(=O)OC(C)(C)C)c1ccc2oc(C=O)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.42
APP P05067 9/20 0.37
GSTO1 P78417 1/20 0.33
NR1D1 P20393 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL13765283 0.77 CYP2A6 (0.43) CYP2A6KDM4EALDH1A1MAPTHPGD
SCHEMBL14197740 0.74 CYP2A6 (0.57) CYP2A6APPGAA
SCHEMBL10000463 0.72 NCEH1 (0.44) ALDH1A1MAPT
SCHEMBL29955990 0.72 CA12 (0.53) CYP2A6KDM4EALDH1A1GAA
SCHEMBL16682553 0.71 MAPT (0.39) CYP2A6APPKDM4EALDH1A1MAPT
SCHEMBL24089837 0.71 POLB (0.32) APPKDM4EALDH1A1MAPT
SCHEMBL25366847 0.70 CYP2A6 (0.43) CYP2A6ALDH1A1MAPTHPGD
SCHEMBL6437793 0.69 MEN1 (0.42) GSTO1ALDH1A1HIF1A
SCHEMBL30936758 0.68 RIPK1 (0.40) KDM4EALDH1A1GLAMAPT
SCHEMBL3313756 0.68 ALDH1A1 (0.40) NR1D1ALDH1A1GAA

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-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE MEDAREX, INC. (US) 2009-07-09 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-20090175888-A1 METHODS OF TREATING CANCER WITH AN ANTIBODY-DRUG CONJUGATE PDIA5, CD38, DUT CYP2A6 2406/4885APP 4239/4885GSTO1 1264/4885

“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.