SCHEMBL267775

SCHEMBL267775

CC(=O)O/N=C(/C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)c(F)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
PDE7A Q13946 1/20 0.38
GAA P10253 2/20 0.37
PTGES O14684 1/20 0.37
AHR P35869 1/20 0.36

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
SCHEMBL267729 0.87 CES1 (0.52) MAPTCES2CES1NPC1RAB9A
SCHEMBL9962630 0.85 RAB9A (0.42) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL16690141 0.79 CES1 (0.56) MAPTCES2CES1NPC1RAB9A
SCHEMBL268146 0.78 MAPT (0.45) MAPTCES2CES1NPC1RAB9A
SCHEMBL267756 0.77 CES1 (0.54) MAPTCES2CES1NPC1RAB9A
SCHEMBL267741 0.76 CES1 (0.52) MAPTCES2CES1NPC1RAB9A
SCHEMBL267765 0.76 CES1 (0.49) MAPTCES2CES1NPC1RAB9A
SCHEMBL19999213 0.75 CES2 (0.42) MAPTCES2CES1NPC1RAB9A
SCHEMBL17069952 0.75 CES2 (0.42) MAPTCES2CES1NPC1RAB9A
SCHEMBL267670 0.75 CES1 (0.51) MAPTCES2CES1NPC1RAB9A

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 MAPT 4252/4885CES2 333/4885CES1 474/4885

“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.