SCHEMBL15216495

SCHEMBL15216495

CC(C)(C)/[N+]([O-])=C/c1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.49
NFE2L2 Q16236 8/20 0.48
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
THPO P40225 1/20 0.44
NPC1 O15118 1/20 0.44
CHRM5 P08912 1/20 0.44
GRM5 P41594 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
RELA Q04206 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7922822 1.00 FBP1 (0.49) FBP1NFE2L2CYP1A2CYP3A4CYP2D6
SCHEMBL15216529 0.81 PTGS1 (0.34) FBP1PTGS1PTGS2TDP1
SCHEMBL28566965 0.80 FBP1 (0.50) FBP1NFE2L2CYP1A2NPC1RAB9A
SCHEMBL15216487 0.80 FBP1 (0.50) FBP1NFE2L2CYP1A2NPC1RAB9A
SCHEMBL15216486 0.79 FBP1 (0.54) FBP1NFE2L2PKMMAPK1
SCHEMBL15216509 0.79 FBP1 (0.49) FBP1CYP1A2CYP2D6NPC1CHRM5
SCHEMBL4711176 0.79 FBP1 (0.49) FBP1CYP3A4TDP1
SCHEMBL15216500 0.77 ALDH1A1 (0.48) FBP1NFE2L2NPC1PTGS1PTGS2
SCHEMBL7926738 0.77 ALDH1A1 (0.48) FBP1NFE2L2NPC1PTGS1PTGS2
SCHEMBL6260317 0.77 TDP1 (0.59) FBP1TDP1

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 FBP1 668/4885NFE2L2 179/4885CYP1A2 4161/4885

“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.