SCHEMBL15044752

SCHEMBL15044752

Cc1c(N=O)cc2c(c1C)O[C@](C)(CCC=O)CC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.46
AKT1 P31749 7/20 0.45
PDPK1 O15530 3/20 0.45
PHLPP1 O60346 3/20 0.45
ILK Q13418 3/20 0.45
PTGES O14684 1/20 0.41
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
NR1I2 O75469 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
SCHEMBL16589604 0.86 ALOX5 (0.50) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL4677441 0.82 AKT1 (0.65) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL16855789 0.78 AKT1 (0.64) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL16589596 0.77 ALOX5 (0.53) ALOX5AKT1PTGESPPARGPPARA
SCHEMBL1286217 0.77 AKT1 (0.53) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL16583014 0.75 AKT1 (0.48) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL16583013 0.75 AKT1 (0.48) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL1286032 0.71 AKT1 (0.45) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL9301858 0.70 ALOX5 (0.49) ALOX5AKT1PDPK1PHLPP1ILK
SCHEMBL16589773 0.70 ALOX5 (0.66) ALOX5PTGESPPARGPPARANR1I2

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-20130158106-A1 TOCOPHEROL DERIVATIVES AND METHODS OF USE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERAN AFFAIRS (US) 2013-06-20 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-20130158106-A1 TOCOPHEROL DERIVATIVES AND METHODS OF USE TTPA, OSBP, PCTP ALOX5 229/4885AKT1 3496/4885PDPK1 4280/4885

“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.