SCHEMBL402173

SCHEMBL402173

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
PRKCA P17252 4/20 0.50
PRKCE Q02156 2/20 0.50
PRKCQ Q04759 2/20 0.50
PRKCD Q05655 2/20 0.50
LPAR3 Q9UBY5 7/20 0.47
LPAR1 Q92633 4/20 0.47
ENPP2 Q13822 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LPAR2 Q9HBW0 2/20 0.46

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
SCHEMBL13218896 0.94 ALDH1A1 (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL14453250 0.94 ALDH1A1 (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL16580778 0.91 ALDH1A1 (0.51) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL406117 0.90 PRKCA (0.63) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL13901129 0.87 ADRA2A (0.59) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL16020426 0.83 ALDH1A1 (0.47) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL21289215 0.83 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL19300633 0.83 ALDH1A1 (0.70) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL17964469 0.82 ALDH1A1 (0.41) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Tributyrin SCHEMBL601928 0.81 ALDH1A1 (0.72) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237302-A1 WATERBORNE COMPOSITIONS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2016-08-18 US disclosed
US-20160237302-A1 WATERBORNE COMPOSITIONS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2016-08-18 US disclosed
WO-2015038012-A1 WATERBORNE COMPOSITIONS VICTORIA LINK LIMITED (NZ) 2015-03-19 WO disclosed
US-8906961-B2 Glycerol levulinate ketals and their use in the manufacture of polyurethanes, and polyurethanes formed therefrom SEGETIS, INC. (US) 2014-12-09 US disclosed
US-20130303648-A1 GLYCEROL LEVULINATE KETALS AND THEIR USE IN THE MANUFACTURE OF POLYURETHANES, AND POLYURETHANES FORMED THEREFROM GFBIOCHEMICALS LIMITED (MT) 2013-11-14 US disclosed
US-8492433-B2 Glycerol levulinate ketals and their use in the manufacture of polyurethanes, and polyurethanes formed therefrom SEGETIS, INC. (US) 2013-07-23 US disclosed
EP-1954140-B1 GLYCEROL LEVULINATE KETALS AND THEIR USE SEGETIS INC (US) 2013-05-29 EP disclosed
US-20120196947-A1 GLYCEROL LEVULINATE KETALS AND THEIR USE IN THE MANUFACTURE OF POLYURETHANES, AND POLYURETHANES FORMED THEREFROM SEGETIS, INC. (US) 2012-08-02 US disclosed
US-8178701-B2 Glycerol levulinate ketals and their use SEGETIS, INC. (US) 2012-05-15 US disclosed
US-20120021962-A1 GLYCEROL LEVULINATE KETALS AND THEIR USE SEGETIS, INC. (US) 2012-01-26 US disclosed
US-8053468-B2 Glycerol levulinate ketals and their use SEGETIS, INC. (US) 2011-11-08 US disclosed
US-20100216915-A1 Levulinic acid ester derivatives as reactive plasticizers and coalescent solvents ARCHER-DANIELS-MIDLAND COMPANY (US) 2010-08-26 US disclosed
US-20100216915-A1 Levulinic acid ester derivatives as reactive plasticizers and coalescent solvents ARCHER-DANIELS-MIDLAND COMPANY (US) 2010-08-26 US disclosed
US-20080242721-A1 plasticizers; polylactones and polyurethanes prepared from them; substituted oxymethylene moiety attached to the dioxolane ring is predominantly in the cis configuration relative to the configuration of the side chain bearing the carboxyl group AROMAGEN CORPORATION (US) 2008-10-02 US disclosed
EP-1954140-A2 GLYCEROL LEVULINATE KETALS AND THEIR USE Aromagen Corporation (US) 2008-08-13 EP disclosed
WO-2007094922-A2 LEVULINIC ACID ESTER DERIVATIVES AS REACTIVE PLASTICIZERS AND COALESCENT SOLVENTS ARCHER-DANIELS-MIDLAND COMPANY (US) 2007-08-23 WO disclosed
WO-2007062118-A2 GLYCEROL LEVULINATE KETALS AND THEIR USE AROMAGEN CORPORATION (US) 2007-05-31 WO 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 (3 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-20100216915-A1 Levulinic acid ester derivatives as reactive plasticizers and coalescent solvents EPM2A, ALAD, GABRD ALDH1A1 635/4885LMNA 908/4885PRKCA 176/4885
US-20080242721-A1 plasticizers; polylactones and polyurethanes prepared from them; substituted oxymethylene moiety attached to the dioxolane ring is predominantly in the cis configuration relative to the configuration of the side chain bearing the carboxyl group GK, FTO, DGKK ALDH1A1 367/4885LMNA 1816/4885PRKCA 62/4885
US-20120021962-A1 GLYCEROL LEVULINATE KETALS AND THEIR USE GK, GRIK5, KHK ALDH1A1 815/4885LMNA 2269/4885PRKCA 351/4885

“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.