SCHEMBL3913895

SCHEMBL3913895

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CBr

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.81
LMNA P02545 1/20 0.81
PRKCA P17252 4/20 0.69
PRKCE Q02156 2/20 0.69
PRKCQ Q04759 2/20 0.69
PRKCD Q05655 2/20 0.69
LPAR3 Q9UBY5 7/20 0.65
LPAR1 Q92633 4/20 0.65
ENPP2 Q13822 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
LPAR2 Q9HBW0 2/20 0.63
MAPT P10636 1/20 0.58

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
SCHEMBL8055170 1.00 ALDH1A1 (0.81) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9955111 0.90 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL896443 0.90 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL8908785 0.90 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL23612380 0.90 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL24334040 0.90 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL24333843 0.90 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL24334742 0.90 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL22973398 0.90 ALDH1A1 (1.00) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL24333834 0.90 ALDH1A1 (1.00) 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 12 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-20170326103-A1 LYMPH DIRECTING PRODRUGS MONASH UNIVERSITY (AU) 2017-11-16 US disclosed
US-7629003-B2 Esters of L-carnitine of alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SIGMA-TAU FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-12-08 US disclosed
US-7629003-B2 Esters of L-carnitine of alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SIGMA-TAU FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-12-08 US disclosed
US-7585519-B2 Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-09-08 US disclosed
US-7585519-B2 Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-09-08 US disclosed
US-20070190128-A1 Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-08-16 US disclosed
US-20070190128-A1 Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-08-16 US disclosed
US-20050079209-A1 Esters of L-carnitine of alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. 2005-04-14 US disclosed
EP-1183228-B1 ESTERS OF L-CARNITINE OR ALKANOYL L-CARNITINES USEFUL AS CATIONIC LIPIDS FOR THE INTRACELLULAR DELIVERY OF PHARMACOLOGICALLY ACTIVE COMPOUNDS. SIGMA TAU IND FARMACEUTI (IT) 2005-01-12 EP disclosed
US-6797281-B1 Esters of I-carnitine or alkanoyl I-carnitines SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-09-28 US disclosed
US-20040186175-A1 Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-09-23 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 (5 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-20050079209-A1 Esters of L-carnitine of alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SLC25A20, CRAT, CPT1B ALDH1A1 628/4885LMNA 256/4885PRKCA 1547/4885
US-20040186175-A1 Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds CPT1B, SLC25A20, CRAT ALDH1A1 461/4885LMNA 297/4885PRKCA 1645/4885
US-20070190128-A1 Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds CRAT, SLC25A20, CPT1B ALDH1A1 637/4885LMNA 238/4885PRKCA 1495/4885
US-20170326103-A1 LYMPH DIRECTING PRODRUGS LTA, ABCB11, LYN ALDH1A1 1056/4885LMNA 3766/4885PRKCA 3553/4885

“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.