SCHEMBL267765

SCHEMBL267765

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.49
CES2 O00748 2/20 0.49
MAPT P10636 8/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALOX5 P09917 1/20 0.37

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 0.85 CES1 (0.52) CES1CES2MAPTSMN1; SMN2KMT2A
SCHEMBL9962610 0.81 MAPT (0.45) CES1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL12328536 0.77 ALDH1A1 (0.38) CES1CES2SMN1; SMN2NPC1RAB9A
SCHEMBL18124956 0.76 NPC1 (0.57) CES1CES2MAPTSMN1; SMN2KMT2A
SCHEMBL267775 0.76 MAPT (0.43) CES1CES2MAPTSMN1; SMN2KMT2A
SCHEMBL16690217 0.76 CES1 (0.57) CES1CES2MAPTSMN1; SMN2KMT2A
SCHEMBL16690141 0.75 CES1 (0.56) CES1CES2MAPTSMN1; SMN2KMT2A
SCHEMBL12328399 0.73 HPGD (0.46) CES1CES2MAPTSMN1; SMN2NPC1
SCHEMBL91920 0.73 ALDH1A1 (0.46) CES1CES2MAPTSMN1; SMN2KMT2A
SCHEMBL17069942 0.73 NPC1 (0.54) CES1CES2MAPTSMN1; SMN2KMT2A

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.