SCHEMBL408015

SCHEMBL408015

CC(=O)CCC(=O)OC(CO)COCC(O)CO

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.45
PRKCE Q02156 2/20 0.45
PRKCQ Q04759 2/20 0.45
PRKCD Q05655 2/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
USP2 O75604 1/20 0.38
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
DGKA P23743 1/20 0.35

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
SCHEMBL8160400 0.85 PRKCA (0.54) PRKCAPRKCEPRKCQPRKCDMAPT
SCHEMBL9474382 0.85 PRKCA (0.43) PRKCAPRKCEPRKCQPRKCDMAPT
SCHEMBL3453977 0.81 MAPT (0.71) PRKCAPRKCEPRKCQPRKCDMAPT
SCHEMBL28225640 0.81 MAPT (0.71) PRKCAPRKCEPRKCQPRKCDMAPT
SCHEMBL4597912 0.81 PRKCA (0.49) PRKCAPRKCEPRKCQPRKCDMAPT
SCHEMBL402501 0.80 MAPT (0.57) PRKCAPRKCEPRKCQPRKCDMAPT
SCHEMBL406117 0.80 PRKCA (0.63) PRKCAPRKCEPRKCQPRKCDLMNA
SCHEMBL574940 0.78 PRKCA (0.54) PRKCAPRKCEPRKCQPRKCDMAPT
Levulinic Acid SCHEMBL408016 0.78 LMNA (0.54) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL26008129 0.77 PRKCA (0.49) PRKCAPRKCEPRKCQPRKCDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (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-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 PRKCA 62/4885PRKCE 124/4885PRKCQ 396/4885
US-20120021962-A1 GLYCEROL LEVULINATE KETALS AND THEIR USE GK, GRIK5, KHK PRKCA 351/4885PRKCE 280/4885PRKCQ 690/4885

“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.