SCHEMBL267729

SCHEMBL267729

CC(=O)O/N=C(/C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
AHR P35869 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
XDH P47989 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
SCHEMBL16690141 0.89 CES1 (0.56) CES1CES2MAPTSMN1; SMN2NPC1
SCHEMBL12629295 0.88 HPGD (0.53) CES1CES2MAPTSMN1; SMN2NPC1
SCHEMBL20278560 0.88 HPGD (0.53) CES1CES2MAPTSMN1; SMN2NPC1
SCHEMBL267756 0.87 CES1 (0.54) CES1CES2MAPTSMN1; SMN2NPC1
SCHEMBL17069942 0.87 NPC1 (0.54) CES1CES2MAPTSMN1; SMN2NPC1
SCHEMBL19999196 0.87 NPC1 (0.54) CES1CES2MAPTSMN1; SMN2NPC1
SCHEMBL267775 0.87 MAPT (0.43) CES1CES2MAPTSMN1; SMN2NPC1
SCHEMBL267741 0.86 CES1 (0.52) CES1CES2MAPTSMN1; SMN2NPC1
SCHEMBL267765 0.85 CES1 (0.49) CES1CES2MAPTSMN1; SMN2NPC1
SCHEMBL268146 0.85 MAPT (0.45) CES1CES2MAPTSMN1; SMN2NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2128132-B1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME ADEKA CORP (JP) 2014-01-15 EP disclosed
US-8133656-B2 Oxime ester compound and photopolymerization initiator containing the same ADEKA CORPORATION (JP) 2012-03-13 US disclosed
US-8133656-B2 Oxime ester compound and photopolymerization initiator containing the same ADEKA CORPORATION (JP) 2012-03-13 US disclosed
US-20100075254-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-03-25 US disclosed
US-20100075254-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-03-25 US disclosed
EP-2128132-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR COMPRISING THE COMPOUND Adeka Corporation (JP) 2009-12-02 EP 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-20100075254-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME CYP4A11, OXER1, NR2E3 CES1 474/4885CES2 333/4885MAPT 4252/4885

“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.