SCHEMBL2200129

SCHEMBL2200129

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
MC4R P32245 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GPR35 Q9HC97 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.35
MITF O75030 1/20 0.35
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
KAT2B Q92831 1/20 0.34

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
SCHEMBL2201162 0.85 ALDH1A1 (0.36) CYP1A2ALDH1A1TDP1MC4RKMT2A
SCHEMBL1057117 0.85 MAOB (0.43) ALDH1A1MC4RHPGDTSHRKAT2B
SCHEMBL2200685 0.82 MC4R (0.48) ALDH1A1MC4R
SCHEMBL2200132 0.81 CYP1A2 (0.45) CYP1A2ALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL2201246 0.79 MC4R (0.37) ALDH1A1MC4RSMN1; SMN2MAPTPOLB
SCHEMBL1055261 0.79 KAT2B (0.37) ALDH1A1TDP1MC4RGPR35KDM4E
SCHEMBL10403856 0.75 CYP1A2 (0.60) CYP1A2ALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL10403857 0.75 CYP1A2 (0.65) CYP1A2ALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL27736701 0.73 CYP1A2 (0.59) CYP1A2ALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL28135850 0.73 CYP1A2 (0.59) CYP1A2ALDH1A1TDP1KMT2ASMN1; SMN2

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 CYP1A2 3915/4885ALDH1A1 1144/4885TDP1 652/4885

“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.