SCHEMBL267670

SCHEMBL267670

CC(=O)O/N=C(/C(=O)c1ccc(N(C)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.51
CES2 O00748 1/20 0.51
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
GAA P10253 1/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
ATM Q13315 1/20 0.40
TLR9 Q9NR96 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 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 0.88 CES1 (0.56) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL267756 0.86 CES1 (0.54) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL267729 0.85 CES1 (0.52) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL267741 0.85 CES1 (0.52) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL9962609 0.82 GAA (0.51) CES1ALDH1A1KMT2AMAPTMEN1
SCHEMBL16690144 0.78 CES2 (0.48) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL9897115 0.78 CES2 (0.50) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL12328537 0.78 CES2 (0.50) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL9897113 0.78 CES2 (0.50) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL16690217 0.77 CES1 (0.57) CES1CES2ALDH1A1KMT2AMAPT

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 333/4885ALDH1A1 2514/4885

“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.