SCHEMBL348441

SCHEMBL348441

CCOC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 2/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2 P17301 1/20 0.49
MAPT P10636 4/20 0.47
RAB9A P51151 1/20 0.47
ALOX5 P09917 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL7197279 0.87 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL350064 0.85 ITGB3 (0.62) ALDH1A1KDM4ELMNAITGB3ITGA2
SCHEMBL350063 0.85 ITGB3 (0.62) ALDH1A1KDM4ELMNAITGB3ITGA2
SCHEMBL3834631 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL349307 0.81 ITGB3 (0.58) ALDH1A1LMNAITGB3ITGA2MAPT
SCHEMBL349308 0.81 ITGB3 (0.58) ALDH1A1LMNAITGB3ITGA2MAPT
SCHEMBL350069 0.80 ITGB3 (0.49) ALDH1A1KDM4ELMNAITGB3ITGA2
SCHEMBL10796469 0.79 HTT (0.51) ALDH1A1KDM4ELMNAITGB3ITGA2
SCHEMBL5352252 0.78 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAL3MBTL1HPGD
SCHEMBL7192146 0.78 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAL3MBTL1HPGD

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-2252393-B1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2014-04-30 EP disclosed
US-20120015443-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2012-01-19 US disclosed
EP-2252393-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES Evonik Degussa GmbH (DE) 2010-11-24 EP disclosed
WO-2009112325-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES EVONIK DEGUSSA GMBH (DE) 2009-09-17 WO 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-20120015443-A1 NOVEL CHIRAL SELECTORS AND STATIONARY PHASES FOR SEPARATING ENANTIOMER MIXTURES BCAT2, BCAT1, SLC43A1 ALDH1A1 1107/4885KDM4E 4413/4885LMNA 2351/4885

“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.