SCHEMBL2574572

SCHEMBL2574572

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL8461804 0.84 TP53 (0.32) TSHRALDH1A1TP53
SCHEMBL9555431 0.78 ALDH1A1 (0.36) TSHRALDH1A1TP53CYP2C19
SCHEMBL20530250 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8459467 0.77
SCHEMBL26939982 0.77 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL24496434 0.74 LMNA (0.30)
SCHEMBL8460210 0.74
SCHEMBL27928595 0.74
SCHEMBL9127789 0.74 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL52160 0.73

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 27 patents — showing the first 20. 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
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
EP-4213238-A1 ALL-SOLID-STATE BATTERY Samsung SDI Co., Ltd. (KR) 2023-07-19 EP disclosed
US-20230223591-A1 ALL-SOLID-STATE BATTERY SAMSUNG SDI CO., LTD. (KR) 2023-07-13 US disclosed
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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
CN-103237851-B Including 2,2,4 trimethyl 3 oxopentanoic acid esters as the water-based paint compositions of coalescence reactive agent 伊士曼化工公司 2016-12-21 CN disclosed
EP-2385034-B1 Process for the preparation of 1-nitro-4-oxobutanylamides SYNKOLA S R O (SK) 2015-12-02 EP disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-3992361-A Method for producing anionic polyamides with chemically bonded dye CESKOSLOVENSKA AKADEMIE VED (CS) 1976-11-16 US disclosed
US-3971816-A Esters of carboxylic acids formally substituted by sodium or potassium in the alpha-position and the method for their preparation CESKOSLOVENSKA AKADEMIE VED (CS) 1976-07-27 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 (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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TSHR 4691/4885ALDH1A1 2369/4885TP53 368/4885
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 TSHR 3110/4885ALDH1A1 3037/4885TP53 1598/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TSHR 4691/4885ALDH1A1 2369/4885TP53 368/4885

“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.