SCHEMBL13616504

SCHEMBL13616504

CCNCCC(=O)OCC(CO)(COCC(COC(=O)CCNCC)(COC(=O)CCNCC)COC(=O)CCNCC)COC(=O)CCNCC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 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
SCHEMBL13616501 0.88 GAA (0.33) ALDH1A1
SCHEMBL13616507 0.85
SCHEMBL17118242 0.82 CYP3A4 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL13616495 0.79 DGKA (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11816289 0.78 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL13258499 0.78 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL13616503 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL30978479 0.76 DGKA (0.53) ALDH1A1MAPK1
SCHEMBL30978486 0.76 DGKA (0.53) ALDH1A1MAPK1
SCHEMBL30978482 0.76 DGKA (0.53) ALDH1A1MAPK1

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 ALDH1A1 4256/4885TP53 1990/4885CYP3A4 2994/4885

“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.