SCHEMBL3049658

SCHEMBL3049658

CC(C)CC(=O)COC(=O)C1CC(C)(C)N(O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.39
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3049653 0.87 SLC18A2 (0.32) SLC18A2
SCHEMBL3058285 0.84 GAA (0.38) SLC18A2GAAL3MBTL1
SCHEMBL3057720 0.79 GAA (0.34) SLC18A2GAAL3MBTL1
SCHEMBL21908618 0.78 GAA (0.44) SLC18A2GAAL3MBTL1
SCHEMBL21908653 0.77 GAA (0.40) SLC18A2GAAL3MBTL1
SCHEMBL3056898 0.77 MAPT (0.35) SLC18A2GAAL3MBTL1
SCHEMBL12846027 0.77 GAA (0.42) SLC18A2GAAL3MBTL1
SCHEMBL3057231 0.77 GAA (0.42) SLC18A2GAAL3MBTL1
SCHEMBL21908629 0.75 GAA (0.41) SLC18A2GAAL3MBTL1
SCHEMBL21908632 0.75 GAA (0.41) SLC18A2GAAL3MBTL1

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-20100260684-A1 USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-14 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-20100260684-A1 USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES APEH, LPO, ALKBH3 SLC18A2 421/4885GAA 751/4885L3MBTL1 1004/4885

“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.