SCHEMBL9962608

SCHEMBL9962608

CC(=O)O/N=C(\C)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.55
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPK1 P28482 2/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYOC Q99972 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HSPB1 P04792 1/20 0.47
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
HGFAC Q04756 1/20 0.45
CES1 P23141 1/20 0.45
XDH P47989 1/20 0.45
MMP13 P45452 1/20 0.44

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
SCHEMBL16690170 0.88 MAPK1 (0.53) MEN1KMT2AMAPK1GAAPOLB
SCHEMBL9962625 0.84 MAPK1 (0.49) MEN1KMT2AMAPK1GAAMAPT
SCHEMBL9962609 0.83 GAA (0.51) MEN1KMT2AMAPK1GAAPOLB
SCHEMBL13192526 0.81 XDH (0.47) MEN1KMT2AMAPK1POLBNPC1
SCHEMBL267756 0.81 CES1 (0.54) SRD5A2MEN1KMT2AMAPK1POLB
SCHEMBL27852524 0.80 MAPK1 (0.58) MEN1KMT2AMAPK1GAANPC1
SCHEMBL40825 0.80 MAPK1 (0.79) SRD5A2MEN1KMT2AMAPK1POLB
SCHEMBL5313730 0.79 NPC1 (0.63) MEN1KMT2AMAPK1GAAPOLB
SCHEMBL5313736 0.79 NPC1 (0.63) MEN1KMT2AMAPK1GAAPOLB
SCHEMBL17673783 0.79 NPC1 (0.63) MEN1KMT2AMAPK1GAAPOLB

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-2223910-B1 OXIME ESTERS AND PHOTOPOLYMERIZATION INITIATORS CONTAINING THE SAME ADEKA CORP (JP) 2012-11-07 EP disclosed
US-8202679-B2 Oxime ester compound and photopolymerization initiator containing the same ADEKA CORPORATION (JP) 2012-06-19 US disclosed
US-8202679-B2 Oxime ester compound and photopolymerization initiator containing the same ADEKA CORPORATION (JP) 2012-06-19 US disclosed
US-20100249262-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-09-30 US disclosed
US-20100249262-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME ADEKA CORPORATION (JP) 2010-09-30 US disclosed
EP-2223910-A1 OXIME ESTERS AND PHOTOPOLYMERIZATION INITIATORS CONTAINING THE SAME Adeka Corporation (JP) 2010-09-01 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-20100249262-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING THE SAME OXER1, CYP4A11, NR2E3 SRD5A2 77/4885MEN1 4343/4885KMT2A 3908/4885

“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.