SCHEMBL13758016

SCHEMBL13758016

CC(C)Cc1ccc(NC2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL12298574 0.91 SMN1; SMN2 (0.48) ROCK2LMNAMAPTPOLBGAA
SCHEMBL25133156 0.80 NPC1 (0.59) ROCK2LMNAMAPTPOLBGAA
SCHEMBL1843731 0.80 LMNA (0.50) LMNAMAPTPOLBGAANPC1
SCHEMBL12450096 0.79 S1PR1 (0.55) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3400048 0.79 MAPT (0.61) LMNAMAPTPOLBGAANPC1
SCHEMBL78145 0.79 MAPT (0.61) LMNAMAPTPOLBGAANPC1
SCHEMBL11526941 0.79 MAPT (0.61) LMNAMAPTPOLBGAANPC1
SCHEMBL17843851 0.78 NPC1 (0.57) ROCK2LMNAMAPTPOLBGAA
SCHEMBL11415345 0.78 LMNA (0.49) LMNAMAPTPOLBGAANPC1
SCHEMBL11526739 0.77 MAPT (0.63) LMNAMAPTPOLBGAANPC1

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-20090197951-A1 Substituted Fullerene Formulations and Their Use in Ameliorating Oxidative Stress Diseases or Inhibiting Cell Death TEGO BIOSCIENCES CORPORATION 2009-08-06 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-20090197951-A1 Substituted Fullerene Formulations and Their Use in Ameliorating Oxidative Stress Diseases or Inhibiting Cell Death BAX, BCL2, NFE2L2 ROCK2 3571/4885LMNA 1229/4885MAPT 1674/4885

“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.