SCHEMBL24704010

SCHEMBL24704010

CCCC(=O)OCC(COC(C)=O)OC(=O)CCC

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
PRKCA P17252 5/20 0.54
PRKCE Q02156 2/20 0.54
PRKCQ Q04759 2/20 0.54
PRKCD Q05655 2/20 0.54
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

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
Tributyrin SCHEMBL14638860 0.96 ALDH1A1 (0.60) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL3193751 0.96 ALDH1A1 (0.58) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL1097712 0.93 ALDH1A1 (0.56) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL2401659 0.93 PRKCA (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL23825 0.92 ALDH1A1 (0.72) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL601928 0.92 ALDH1A1 (0.72) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL14976537 0.91 ALDH1A1 (0.54) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL8933438 0.90 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL21289215 0.90 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL8206257 0.90 ALDH1A1 (0.70) 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-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2023-10-26 US disclosed
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2022-12-15 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 (2 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-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 ALDH1A1 1218/4885LMNA 2962/4885PRKCA 2982/4885
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 ALDH1A1 1218/4885LMNA 2962/4885PRKCA 2982/4885

“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.