SCHEMBL13319976

SCHEMBL13319976

CCOC(=O)c1cc2occc2n1COCCOC(=O)[C@@H](NC(=O)CN)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.51
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 5/20 0.47
LMNA P02545 1/20 0.45
THRB P10828 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12864975 1.00 TP53 (0.51) TP53ALDH1A1MAPTHTTPOLB
SCHEMBL12879901 1.00 TP53 (0.51) TP53ALDH1A1MAPTHTTPOLB
SCHEMBL13319975 0.90 TP53 (0.38) TP53ALDH1A1MAPTHTTPOLB
SCHEMBL1170918 0.90 TP53 (0.38) TP53ALDH1A1MAPTHTTPOLB
SCHEMBL12880191 0.88 TP53 (0.38) TP53ALDH1A1MAPTHTTPOLB
SCHEMBL12879907 0.88 TP53 (0.53) TP53ALDH1A1MAPTHTTPOLB
SCHEMBL12864055 0.88 TP53 (0.53) TP53ALDH1A1MAPTHTTPOLB
SCHEMBL12864536 0.86 TP53 (0.36) TP53ALDH1A1MAPTHTTPOLB
SCHEMBL12903503 0.84 TP53 (0.36) TP53ALDH1A1MAPTHTTPOLB
SCHEMBL13319972 0.84 ALDH1A1 (0.53) TP53ALDH1A1MAPTHTTPOLB

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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 TP53 2774/4885ALDH1A1 350/4885MAPT 2275/4885

“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.