SCHEMBL2201859

SCHEMBL2201859

CC(OC(=O)C1(N)CCCCC1)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.33
GFER P55789 1/20 0.33
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
CTSK P43235 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL2199204 0.84 THRB (0.41) CYP3A4TSHRLMNAALDH1A1KMT2A
SCHEMBL8859379 0.81 ALDH1A1 (0.38) TSHRLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL8859340 0.80 ALDH1A1 (0.45) CYP3A4TSHRLMNAALDH1A1KMT2A
SCHEMBL2201333 0.80 ALDH1A1 (0.38) CYP3A4LMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL2200614 0.79 ALDH1A1 (0.40) TSHRLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL27715898 0.76 CASP6 (0.44) CASP6CYP3A4TSHRLMNAALDH1A1
SCHEMBL2199933 0.73 RXRA (0.37) CASP6ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2201856 0.73 NAAA (0.43) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11026910 0.72 CASP6 (0.40) CASP6CYP3A4TSHRLMNAALDH1A1
SCHEMBL11024371 0.72 CASP6 (0.40) CASP6CYP3A4TSHRALDH1A1KMT2A

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 CASP6 4346/4885CYP3A4 4337/4885TSHR 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.