SCHEMBL13616523

SCHEMBL13616523

CCCCCCCCNCCC(=O)OCC(CC)(COC(=O)CCNCCCCCCCC)COC(=O)CNCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.39
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
LTA4H P09960 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
S1PR2 O95136 5/20 0.36
S1PR4 O95977 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
PAM P19021 2/20 0.36
S1PR5 Q9H228 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CASP2 P42575 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
SCHEMBL13616524 1.00 DGKA (0.39) DGKACA12CA2CA7CA9
SCHEMBL13616521 0.88 DGKA (0.51) DGKAL3MBTL1PAMALDH1A1TSHR
SCHEMBL17779433 0.88 LTA4H (0.39) DGKACA12CA2CA7CA9
SCHEMBL13616529 0.82 DGKA (0.49) DGKACA12CA2CA7CA9
SCHEMBL13616503 0.81 ALDH1A1 (0.35) LTA4HALDH1A1GAA
SCHEMBL16232292 0.79 CYP1A2 (0.42) CA12CA2CA7CA9CA14
SCHEMBL9761793 0.78 DGKA (0.62) DGKAPAMALDH1A1TSHR
SCHEMBL15024334 0.78 DGKA (0.62) DGKAPAMALDH1A1TSHR
SCHEMBL17812601 0.78 DGKA (0.62) DGKAPAMALDH1A1TSHR
SCHEMBL3412329 0.78 DGKA (0.62) DGKAPAMALDH1A1TSHR

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
WO-2009138341-A2 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS BASF SE (DE) 2009-11-19 WO disclosed
US-20090286878-A1 POLYOL DERIVED ANTI-MICROBIAL AGENTS AND COMPOSITIONS CIBA CORP. 2009-11-19 US disclosed
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 467/4885CA12 1433/4885CA2 548/4885

“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.