SCHEMBL9931940

SCHEMBL9931940

CC(C)C(=O)C(C)(C)C(=O)OCCO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
PRKCA P17252 1/20 0.32
ACHE P22303 1/20 0.32
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31

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
SCHEMBL20530250 0.93 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12227045 0.83 TSHR (0.41) ALDH1A1TSHRPRKCAACHECYP4F2
SCHEMBL15114063 0.79 MMP8 (0.46) ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL9931933 0.77 PRKCA (0.30) PRKCA
SCHEMBL9933854 0.77 THRB (0.47) ALDH1A1TSHR
SCHEMBL9931857 0.75 MAPT (0.40) ALDH1A1TSHRACHECYP4F2CYP4A11
SCHEMBL19214625 0.75 TSHR (0.35) ALDH1A1TSHRPRKCAACHECYP4F2
SCHEMBL15965827 0.75 TSHR (0.35) ALDH1A1TSHRPRKCAACHECYP4F2
SCHEMBL20079311 0.74 CYP4F2 (0.38) CYP4F2CYP4A11
SCHEMBL1271415 0.74 TSHR (0.38) ALDH1A1TSHRPRKCAACHECYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2652050-B1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS EASTMAN CHEM CO (US) 2018-10-17 EP claimed
US-9029451-B2 Waterborne coating compositions that include 2,2,4-trimethyl-3-oxopentanoate esters as reactive coalescents EASTMAN CHEMICAL COMPANY (US) 2015-05-12 US claimed
EP-2652050-A1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS Eastman Chemical Company (US) 2013-10-23 EP claimed
US-20120157614-A1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 US claimed
WO-2012082512-A1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 WO claimed
EP-2652050-B1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS EASTMAN CHEM CO (US) 2018-10-17 EP disclosed
US-9029451-B2 Waterborne coating compositions that include 2,2,4-trimethyl-3-oxopentanoate esters as reactive coalescents EASTMAN CHEMICAL COMPANY (US) 2015-05-12 US disclosed
US-8809446-B2 Substituted 3-oxopentanoates and their uses in coating compositions EASTMAN CHEMICAL COMPANY (US) 2014-08-19 US disclosed
EP-2651873-A1 SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS Eastman Chemical Company (US) 2013-10-23 EP disclosed
EP-2652050-A1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS Eastman Chemical Company (US) 2013-10-23 EP disclosed
US-20120157614-A1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 US disclosed
US-20120157609-A1 SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 US disclosed
WO-2012082512-A1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 WO disclosed
WO-2012082340-A1 SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 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 (1 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-20120157609-A1 SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS OXER1, C9, OXGR1 ALDH1A1 1038/4885TSHR 4200/4885PRKCA 3615/4885

“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.