SCHEMBL2199000

SCHEMBL2199000

O=C(NC1CCCCC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.72
ALDH1A1 P00352 5/20 0.59
MAPT P10636 2/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.51
GAA P10253 1/20 0.50

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
Nitrobenzene SCHEMBL28019505 0.91 EPHX1 (0.67) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL15822382 0.87 EPHX1 (0.57) EPHX1ALDH1A1MAPTKMT2AGAA
SCHEMBL9363602 0.87 EPHX1 (0.60) EPHX1ALDH1A1GAA
SCHEMBL31095903 0.87 EPHX1 (0.57) EPHX1ALDH1A1GAA
SCHEMBL10808480 0.86 ALDH1A1 (0.70) EPHX1ALDH1A1GAA
SCHEMBL15822380 0.86 EPHX1 (0.56) EPHX1ALDH1A1MAPTPOLBGAA
SCHEMBL10808476 0.86 ALDH1A1 (0.70) EPHX1ALDH1A1GAA
SCHEMBL31095801 0.85 EPHX1 (0.55) EPHX1ALDH1A1MAPTKMT2AGAA
SCHEMBL12196002 0.84 EPHX1 (1.00) EPHX1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2199928 0.84 EPHX1 (0.57) EPHX1ALDH1A1MAPTMEN1KMT2A

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 4 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
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
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 1144/4885MAPT 1072/4885

“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.