SCHEMBL6898232

SCHEMBL6898232

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PRKCA P17252 2/20 0.40
PRKCE Q02156 2/20 0.38
PRKCQ Q04759 2/20 0.38
PRKCD Q05655 2/20 0.38
LPAR3 Q9UBY5 5/20 0.37
LPAR1 Q92633 3/20 0.37
ENPP2 Q13822 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
LPAR2 Q9HBW0 2/20 0.36

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
SCHEMBL76782 0.87 ALDH1A1 (0.55) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL5308587 0.87 ALDH1A1 (0.55) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10087839 0.85 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10087840 0.85 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL17866537 0.84 PRKCA (0.49) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL124736 0.82
SCHEMBL17866517 0.81 ALDH1A1 (0.47) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL17866510 0.81 PRKCA (0.50) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL12662795 0.81 ALDH1A1 (0.43) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL17877418 0.81 ALDH1A1 (0.50) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 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 (4 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 ALDH1A1 74/4885LMNA 2321/4885PRKCA 4646/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B ALDH1A1 432/4885LMNA 1099/4885PRKCA 3981/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB ALDH1A1 307/4885LMNA 1728/4885PRKCA 4414/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B ALDH1A1 760/4885LMNA 3322/4885PRKCA 4489/4885

“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.