SCHEMBL2199928

SCHEMBL2199928

O=C(NC1CCCCC1)OCc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.57
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL2199000 0.84 EPHX1 (0.72) EPHX1ALDH1A1KMT2AGAAMEN1
SCHEMBL4916180 0.82 EPHX1 (0.57) EPHX1ALDH1A1RAB9ANPC1MAPT
SCHEMBL6331846 0.80 EPHX1 (0.50) EPHX1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL910068 0.80 EPHX1 (0.57) EPHX1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL2202790 0.79 EPHX1 (0.54) EPHX1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL793387 0.79 EPHX1 (0.62) EPHX1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL12892548 0.79 EPHX1 (0.62) EPHX1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL13020964 0.79 EPHX1 (0.62) EPHX1ALDH1A1KMT2ARAB9ANPC1
SCHEMBL2200272 0.79 EPHX1 (0.56) EPHX1ALDH1A1RAB9ANPC1MAPT
Nitrobenzene SCHEMBL28019505 0.78 EPHX1 (0.67) EPHX1ALDH1A1KMT2AGAAMEN1

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-1909142-B1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION ENHANCER TORAY INDUSTRIES (JP) 2015-06-24 EP disclosed
CN-101213491-B Photosensitive resin composition and adhesion enhancer TORAY INDUSTRIES 2011-09-14 CN disclosed
US-7977028-B2 Photosensitive resin composition and adhesion promoter TORAY INDUSTRIES, INC. (JP) 2011-07-12 US disclosed
US-20090123867-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION PROMOTER TORAY INDUSTRIES, INC. (JP) 2009-05-14 US disclosed
CN-101213491-A Photosensitive resin composition and adhesion enhancer TORAY INDUSTRIES (JP) 2008-07-02 CN disclosed
EP-1909142-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION ENHANCER TORAY INDUSTRIES, INC. (JP) 2008-04-09 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-20090123867-A1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION PROMOTER PCNA, TERB1, SMC2 EPHX1 1387/4885ALDH1A1 1144/4885KMT2A 56/4885

“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.