SCHEMBL542087

SCHEMBL542087

C[CH]CNC(=O)OC(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
CASR P41180 1/20 0.40
POLB P06746 3/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL18684993 0.86 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRSMN1; SMN2CASR
SCHEMBL8654472 0.84 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRSMN1; SMN2CASR
SCHEMBL7719022 0.81 KMT2A (0.54) ALDH1A1CYP1A2TSHRCASRPOLB
SCHEMBL7718000 0.81 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRSMN1; SMN2POLB
SCHEMBL542086 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRSMN1; SMN2CASR
SCHEMBL9056702 0.80 MGLL (0.51) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL3619558 0.80 MGLL (0.51) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL7719031 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBGAAHPGD
SCHEMBL5583400 0.77 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2CASR
SCHEMBL27889264 0.77 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRSMN1; SMN2GAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2692525-B1 CONDUCTIVE LAMINATED BODY AND TOUCH PANEL TORAY INDUSTRIES (JP) 2015-10-28 EP disclosed
EP-1909142-B1 PHOTOSENSITIVE RESIN COMPOSITION AND ADHESION ENHANCER TORAY INDUSTRIES (JP) 2015-06-24 EP disclosed
EP-2692525-A1 CONDUCTIVE LAMINATED BODY AND TOUCH PANEL Toray Industries, Inc. (JP) 2014-02-05 EP disclosed
US-8617418-B2 Conductive film removal agent and conductive film removal method TORAY INDUSTRIES, INC. (JP) 2013-12-31 US disclosed
US-20120031872-A1 CONDUCTIVE FILM REMOVAL AGENT AND CONDUCTIVE FILM REMOVAL METHOD TORAY INDUSTRIES, INC. (JP) 2012-02-09 US disclosed
EP-2415849-A1 AGENT FOR REMOVING CONDUCTIVE FILM AND METHOD FOR REMOVING CONDUCTIVE FILM Toray Industries, Inc. (JP) 2012-02-08 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 ALDH1A1 1144/4885CYP1A2 3915/4885TSHR 4306/4885

“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.