SCHEMBL15216499

SCHEMBL15216499

CC(C)(C)/[N+]([O-])=C/c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
G6PD P11413 1/20 0.44
FBP1 P09467 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AHR P35869 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL8039808 1.00 ALDH1A1 (0.46) ALDH1A1NPC1MAPTG6PDFBP1
SCHEMBL28552488 0.81 FBP1 (0.44) ALDH1A1NPC1FBP1TDP1HSD17B10
SCHEMBL15216491 0.81 FBP1 (0.44) ALDH1A1NPC1FBP1TDP1HSD17B10
SCHEMBL17334524 0.79 ALDH1A1 (0.46) ALDH1A1TDP1HSD17B10TSHRGAA
SCHEMBL14993056 0.79 TDP1 (0.43) ALDH1A1MAPTFBP1TDP1HSD17B10
SCHEMBL6935466 0.79 GAA (0.55) ALDH1A1NPC1MAPTG6PDTDP1
SCHEMBL729012 0.79 TDP1 (0.40) ALDH1A1TDP1HSD17B10TSHRGAA
SCHEMBL15216500 0.79 ALDH1A1 (0.48) ALDH1A1NPC1MAPTFBP1TDP1
SCHEMBL4712004 0.79 TDP1 (0.43) ALDH1A1MAPTFBP1TDP1HSD17B10
SCHEMBL14993055 0.79 TDP1 (0.43) ALDH1A1MAPTFBP1TDP1HSD17B10

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-20130225694-A1 COMPOSITIONS AND METHODS OF INHIBITING RETINAL DEGENERATION OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2013-08-29 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-20130225694-A1 COMPOSITIONS AND METHODS OF INHIBITING RETINAL DEGENERATION ALDH1A2, PDE6C, NQO1 ALDH1A1 283/4885NPC1 731/4885MAPT 1338/4885

“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.