SCHEMBL2519901

SCHEMBL2519901

CC(C)(C)OC(=O)NCCOC(=O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 7/20 0.49
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA9 Q16790 7/20 0.49
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EPHX1 P07099 1/20 0.42
MALT1 Q9UDY8 1/20 0.40
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL11888006 0.93 TDP1 (0.53) IDO1MEN1GAAKMT2ATDP1
SCHEMBL28980953 0.90 CA12 (0.57) IDO1MEN1GAAKMT2ATDP1
SCHEMBL12259524 0.88 IDO1 (0.49) IDO1MEN1GAAKMT2ATDP1
SCHEMBL7479664 0.88 TDP1 (0.49) IDO1MEN1GAAKMT2ATDP1
SCHEMBL2152898 0.87 TDP1 (0.51) IDO1MEN1GAAKMT2ATDP1
SCHEMBL18354701 0.86 TDP1 (0.50) IDO1MEN1GAAKMT2ATDP1
SCHEMBL8274545 0.85 IDO1 (0.55) IDO1MEN1GAAKMT2ATDP1
SCHEMBL1877046 0.85 TDP1 (0.46) IDO1MEN1GAAKMT2ATDP1
SCHEMBL8005989 0.84 CA12 (0.49) IDO1MEN1GAAKMT2ATDP1
SCHEMBL28133475 0.84 TDP1 (0.53) IDO1MEN1GAAKMT2ATDP1

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-20110251158-A1 FULLERENE THERAPIES FOR INFLAMMATION AND INHIBITION OF BUILD-UP OF ARTERIAL PLAQUE LUNA INNOVATIONS INCORPORATED (US) 2011-10-13 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-20110251158-A1 FULLERENE THERAPIES FOR INFLAMMATION AND INHIBITION OF BUILD-UP OF ARTERIAL PLAQUE IL1B, IL1A, CD68 IDO1 3263/4885MEN1 1844/4885GAA 2992/4885

“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.