SCHEMBL2201333

SCHEMBL2201333

CC(OC(=O)C1(N)CCCCC1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
GPR35 Q9HC97 4/20 0.38
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL8859379 0.86 ALDH1A1 (0.38) ALDH1A1GPR35TDP1KMT2AMAPT
SCHEMBL2200614 0.85 ALDH1A1 (0.40) ALDH1A1GPR35TDP1KMT2AMEN1
SCHEMBL2199204 0.80 THRB (0.41) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL2201859 0.80 CASP6 (0.35) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL8859340 0.78 ALDH1A1 (0.45) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL27715908 0.76 KMT2A (0.45) ALDH1A1GPR35TDP1KMT2AMEN1
SCHEMBL2202794 0.75 GPR35 (0.39) ALDH1A1GPR35TDP1KMT2AMEN1
SCHEMBL2201329 0.72 EPHX1 (0.44) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL11024996 0.71 KMT2A (0.41) ALDH1A1GPR35TDP1KMT2AMEN1
SCHEMBL11027006 0.71 KMT2A (0.41) ALDH1A1GPR35TDP1KMT2AMEN1

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 ALDH1A1 1144/4885GPR35 1600/4885TDP1 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.