SCHEMBL6046662

SCHEMBL6046662

CC(C)(C)OC(=O)CNNC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 1/20 0.54
GAA P10253 1/20 0.50
NR1D1 P20393 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HTR2A P28223 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6046651 0.86 ALDH1A1 (0.53) ALDH1A1MAPTGAAMAPK1HTT
SCHEMBL6943834 0.85 ALDH1A1 (0.62) ALDH1A1MAPTGAANR1D1L3MBTL1
SCHEMBL9728624 0.83 ALDH1A1 (0.59) ALDH1A1MAPTGAANR1D1L3MBTL1
SCHEMBL5723865 0.82 ALDH1A1 (0.65) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL14535782 0.82 SYK (0.52) ALDH1A1MAPTL3MBTL1MAPK1HTT
SCHEMBL5723717 0.80 ALDH1A1 (0.53) ALDH1A1MAPTGAAHTTPPARG
SCHEMBL2299040 0.80 IDO1 (0.58) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL3176366 0.78 ALDH1A1 (0.49) ALDH1A1MAPTGAANR1D1L3MBTL1
SCHEMBL14128576 0.78 CHRM2 (0.49) ALDH1A1MAPTGAANR1D1PPARG
SCHEMBL3558360 0.78 PPARG (0.49) ALDH1A1MAPTGAANR1D1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281686-A1 Aza-peptides LABORATOIRES SERONO SA (CH) 2006-12-14 US 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-20060281686-A1 Aza-peptides APP, APBA1, IAPP ALDH1A1 4161/4885MAPT 302/4885GAA 1357/4885

“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.