SCHEMBL2519906

SCHEMBL2519906

CC(C)(C)OC(=O)C(N)COC(=O)CC(=O)OCC(N)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
LTA4H P09960 1/20 0.35
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CYP2D6 P10635 1/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
DGAT1 O75907 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL2519909 0.91 MEN1 (0.36) GAALTA4HNOS1NOS3NOS2
SCHEMBL28004490 0.87 NOS1 (0.34) LTA4HNOS1NOS3NOS2CYP1A2
SCHEMBL8005990 0.87 NOS1 (0.34) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL16124674 0.81 MAPT (0.46) MEN1KMT2ATDP1
SCHEMBL29915527 0.80 TSHR (0.52) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL18640571 0.80 TSHR (0.52) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL12936767 0.80 NOS1 (0.36) GAALTA4HNOS1NOS3NOS2
Hydrochloric Acid SCHEMBL6435071 0.80 NOS1 (0.36) GAALTA4HNOS1NOS3NOS2
SCHEMBL522812 0.80 MAPK1 (0.41) GAALTA4HNOS1NOS3NOS2
SCHEMBL30227945 0.80 NOS1 (0.36) GAALTA4HNOS1NOS3NOS2

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 GAA 2992/4885MGAM 4348/4885SI 4489/4885

“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.