SCHEMBL3056898

SCHEMBL3056898

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PAM P19021 2/20 0.35
DGKA P23743 1/20 0.34
EPHX2 P34913 1/20 0.34
NAAA Q02083 2/20 0.33
HAO1 Q9UJM8 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
SLC18A2 Q05940 1/20 0.32

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
SCHEMBL3056895 0.88 MAPT (0.34) MAPTKMT2APAMDGKAEPHX2
SCHEMBL13086719 0.84 DGKA (0.44) MAPTKMT2APAMDGKAEPHX2
SCHEMBL3057717 0.83
SCHEMBL13086581 0.78 DGKA (0.36) MAPTPAMDGKAEPHX2GAA
SCHEMBL21908621 0.77 GAA (0.40) NAAAGAAL3MBTL1SLC18A2
SCHEMBL21908620 0.77 GAA (0.40) NAAAGAAL3MBTL1SLC18A2
SCHEMBL21103469 0.77 GAA (0.40) NAAAGAAL3MBTL1SLC18A2
SCHEMBL21908617 0.77 GAA (0.40) NAAAGAAL3MBTL1SLC18A2
SCHEMBL3049658 0.77 SLC18A2 (0.39) GAAL3MBTL1SLC18A2
SCHEMBL21908632 0.75 GAA (0.41) GAAL3MBTL1SLC18A2

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 3 patents. 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
EP-2162157-A1 USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES University Of Maryland Biotechnology Institute (US) 2010-03-17 EP disclosed
WO-2008151112-A1 USE OF 3-ALKANOYLOXYMETHOXYCARBONYL NITROXIDE ESTERS AS OXIMETRY PROBES FOR MEASUREMENT OF OXYGEN STATUS IN TISSUES UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2008-12-11 WO 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 MAPT 4465/4885KMT2A 2546/4885PAM 458/4885

“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.