SCHEMBL2200612

SCHEMBL2200612

CC(OC(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.43
TBXA2R P21731 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL2201239 0.85 ALDH1A1 (0.51) RAB9ANPC1ALDH1A1NPSR1L3MBTL1
SCHEMBL2201329 0.85 EPHX1 (0.44) EPHX1RAB9ANPC1ALDH1A1MEN1
SCHEMBL2199200 0.82 EPHX1 (0.54) EPHX1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7905311 0.82 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1NPSR1L3MBTL1
SCHEMBL2201856 0.80 NAAA (0.43) EPHX1RAB9ANPC1ALDH1A1MEN1
SCHEMBL2675822 0.79 KMT2A (0.53) EPHX1RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL27736702 0.77 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTKDM4EHPGD
SCHEMBL11159565 0.76 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2APOLBMAPT
SCHEMBL2200272 0.75 EPHX1 (0.56) EPHX1RAB9ANPC1ALDH1A1MAPT
SCHEMBL2200614 0.74 ALDH1A1 (0.40) ALDH1A1NPSR1MEN1KMT2APOLB

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 6 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
CN-101213491-B Photosensitive resin composition and adhesion enhancer TORAY INDUSTRIES 2011-09-14 CN 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
CN-101213491-A Photosensitive resin composition and adhesion enhancer TORAY INDUSTRIES (JP) 2008-07-02 CN 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 EPHX1 1387/4885RAB9A 2276/4885NPC1 4760/4885

“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.