SCHEMBL13616529

SCHEMBL13616529

CCCCCCCCNCCC(=O)OCCOCC(CC)(COCCOC(=O)CCNCCCCCCCC)COCCOC(=O)CCNCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.49
THRB P10828 1/20 0.44
EPHX2 P34913 1/20 0.44
LTA4H P09960 3/20 0.41
DNM1 Q05193 1/20 0.39
HTR2C P28335 1/20 0.38
NAAA Q02083 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FAAH O00519 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
S1PR2 O95136 2/20 0.36
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36

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
SCHEMBL29405358 0.86 DGKA (0.68) DGKATHRBEPHX2DNM1HTR2C
SCHEMBL13616524 0.82 DGKA (0.39) DGKALTA4HCA12CA2CA7
SCHEMBL13616523 0.82 DGKA (0.39) DGKALTA4HCA12CA2CA7
SCHEMBL13616521 0.81 DGKA (0.51) DGKADNM1L3MBTL1LMNAPAM
SCHEMBL17779433 0.81 LTA4H (0.39) DGKALTA4HCA12CA2CA7
SCHEMBL12792401 0.81 NAAA (0.58) DGKAEPHX2LTA4HDNM1HTR2C
SCHEMBL8421899 0.81 DGKA (0.58) DGKAEPHX2LTA4HDNM1HTR2C
SCHEMBL16079775 0.79 DGKA (0.55) DGKAEPHX2LTA4HDNM1HTR2C
SCHEMBL889256 0.78 NAAA (0.58) DGKAEPHX2LTA4HDNM1HTR2C
SCHEMBL889329 0.78 NAAA (0.58) DGKADNM1HTR2CNAAARAD52

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-20090286878-A1 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS CIBA CORP. 2009-11-19 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-20090286878-A1 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS CUTA, PHOSPHO1, DPM1 DGKA 467/4885THRB 4186/4885EPHX2 2947/4885

“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.