SCHEMBL4533615

SCHEMBL4533615

O=C(CCCO)OCC(COC(=O)CCCO)OC(=O)CCCO

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
PRKCA P17252 4/20 0.59
PRKCE Q02156 2/20 0.59
PRKCQ Q04759 2/20 0.59
PRKCD Q05655 2/20 0.59
LPAR3 Q9UBY5 7/20 0.51
LPAR1 Q92633 4/20 0.51
ENPP2 Q13822 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LPAR2 Q9HBW0 2/20 0.50
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL20717835 0.94 ALDH1A1 (0.68) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL13778894 0.92 ALDH1A1 (0.71) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL3685618 0.92 ALDH1A1 (0.71) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL21479791 0.91 ALDH1A1 (0.75) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL22681323 0.88 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL12677746 0.85 ALDH1A1 (0.67) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL13778897 0.85 PRKCA (0.76) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL13866563 0.84 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL19102029 0.84 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL31112785 0.84 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572605-B2 1,2,3,tris(4-hydroxy-butyroyloxy)propane; enhance the uptake of the drug, deliver effective therapeutic doses in a time-delayed fashion, and target specific organs ORPHAN MEDICAL, INC. (US) 2009-08-11 US claimed
US-20050250848-A1 1,2,3,tris(4-hydroxy-butyroyloxy)propane; enhance the uptake of the drug, deliver effective therapeutic doses in a time-delayed fashion, and target specific organs ORPHAN MEDICAL, INC. 2005-11-10 US claimed

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-20050250848-A1 1,2,3,tris(4-hydroxy-butyroyloxy)propane; enhance the uptake of the drug, deliver effective therapeutic doses in a time-delayed fashion, and target specific organs SHBG, GHRHR, THRB ALDH1A1 1954/4885LMNA 2966/4885PRKCA 4783/4885

“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.