SCHEMBL2201246

SCHEMBL2201246

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.37
KAT2B Q92831 2/20 0.36
CASP6 P55212 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.32
ABCB1 P08183 1/20 0.32
GAA P10253 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 0.31

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
SCHEMBL2200685 0.84 MC4R (0.48) MC4RALDH1A1RAB9A
SCHEMBL1055261 0.81 KAT2B (0.37) MC4RKAT2BALDH1A1
SCHEMBL2201250 0.80 MAPT (0.36) KAT2BCASP6ALDH1A1MAPTRAB9A
SCHEMBL2201162 0.80 ALDH1A1 (0.36) MC4RALDH1A1MAPT
SCHEMBL1057117 0.80 MAOB (0.43) MC4RKAT2BALDH1A1
SCHEMBL2200129 0.79 CYP1A2 (0.46) MC4RKAT2BALDH1A1MAPTSMN1; SMN2
SCHEMBL27715897 0.72 CYP3A4 (0.49) CASP6ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL7537975 0.72 MC4R (0.51) MC4RALDH1A1RAB9A
SCHEMBL16924651 0.69 GPR35 (0.38) KAT2BALDH1A1
SCHEMBL11027254 0.69 CASP6 (0.41) CASP6ALDH1A1MAPTRAB9A

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 MC4R 4113/4885KAT2B 400/4885CASP6 4346/4885

“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.