SCHEMBL2519909

SCHEMBL2519909

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 1/20 0.36
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
SLC7A5 Q01650 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CYP2D6 P10635 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
ADRB2 P07550 1/20 0.30

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
SCHEMBL2519906 0.91 GAA (0.37) MEN1GAAKMT2ALTA4HNOS1
SCHEMBL28004490 0.82 NOS1 (0.34) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL8005990 0.82 NOS1 (0.34) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL21381708 0.78 NOS1 (0.37) MEN1KMT2ALTA4HNOS1NOS3
SCHEMBL21531604 0.77 SLC1A5 (0.42) KMT2ANOS1NOS3NOS2SLC7A5
SCHEMBL2308212 0.77 NOS1 (0.36) LTA4HNOS1NOS3NOS2SLC7A5
SCHEMBL16124674 0.77 MAPT (0.46) MEN1KMT2ATDP1
SCHEMBL330114 0.76 LTA4H (0.36) MEN1GAAKMT2ALTA4HNOS1
SCHEMBL3080102 0.76 MAPK1 (0.41) MEN1GAAKMT2ALTA4HNOS1
Hydrochloric Acid SCHEMBL6435071 0.76 NOS1 (0.36) MEN1GAAKMT2ALTA4HNOS1

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 MEN1 1844/4885GAA 2992/4885KMT2A 4478/4885

“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.