SCHEMBL9962609

SCHEMBL9962609

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.51
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.44
XDH P47989 1/20 0.43
CES1 P23141 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL9962616 0.88 GAA (0.48) GAAMAPK1TSHRXDHMEN1
SCHEMBL16690170 0.86 MAPK1 (0.53) GAAMAPK1TSHRXDHCES1
SCHEMBL9962608 0.83 SRD5A2 (0.55) GAAMAPK1TSHRXDHCES1
SCHEMBL9962625 0.82 MAPK1 (0.49) GAAMAPK1TSHRXDHCES1
SCHEMBL267670 0.82 CES1 (0.51) GAAMAPK1CES1MEN1KMT2A
SCHEMBL12287279 0.81 LMNA (0.43) GAAMAPK1XDHMEN1KMT2A
SCHEMBL13192526 0.79 XDH (0.47) MAPK1TSHRXDHCES1MEN1
SCHEMBL27852524 0.78 MAPK1 (0.58) GAAMAPK1TSHRCES1MEN1
SCHEMBL10903672 0.78 MAPT (0.52) GAAMAPK1TSHRMEN1KMT2A
SCHEMBL5313736 0.77 NPC1 (0.63) GAAMAPK1TSHRMEN1KMT2A

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 GAA 4808/4885MAPK1 1665/4885TSHR 408/4885

“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.