SCHEMBL2244565

SCHEMBL2244565

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.39
ACLY P53396 1/20 0.39
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 3/20 0.34
HSPD1 P10809 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CYP2C19 P33261 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP2D6 P10635 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
SCHEMBL9398246 0.79 CPT2 (0.41) CPT2ACLYHMGCRCHRM1TBXA2R
SCHEMBL11757776 0.79 CPT2 (0.33) CPT2ACLYHMGCRCHRM1TBXA2R
SCHEMBL20262334 0.78 TSHR (0.36) CPT2HMGCRCHRM1TBXA2RADRA1A
SCHEMBL59972 0.76 ACLY (0.58) CPT2ACLYHMGCRCHRM1TBXA2R
SCHEMBL1409965 0.76 ACLY (0.58) CPT2ACLYHMGCRCHRM1TBXA2R
SCHEMBL1462468 0.76 ACLY (0.58) CPT2ACLYHMGCRCHRM1TBXA2R
SCHEMBL20262434 0.75 ADRA1A (0.41) CPT2HMGCRCHRM1TBXA2RADRA1A
SCHEMBL5485278 0.73 MEN1 (0.41) HMGCRCHRM1TBXA2RADRA1AMEN1
SCHEMBL30754373 0.73 CPT2 (0.42) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL13279169 0.72 TSHR (0.34) HMGCRCHRM1TBXA2RADRA1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2554049-B1 Herbicidal composition with improved efficiency, preparation method and use ARD SA (FR) 2016-03-02 EP disclosed
EP-2554049-A1 Herbicidal composition with improved efficiency, preparation method and use AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2013-02-06 EP disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed
CN-1229449-C Malic acid diester surfactant AIR PROD & CHEM (US) 2005-11-30 CN disclosed
US-6969738-B2 Malic acid diester surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-11-29 US disclosed
US-20020103280-A1 Malic acid diester surfactants LASSILA KEVIN RODNEY (US) 2002-08-01 US disclosed
US-6369146-B1 AN AQUEOUS ORGANIC COATING COMPRISING A RESIN, SURFACTANT, WETTING AGENT, FLOW AND LEVELING AGENTS AND AN HYDROXY DIALKYL(C3-6) MALEATE; REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION; COATINGS; INKS; ADHESIVES; HERBICIDES AIR PRODUCTS AND CHEMICALS, INC. 2002-04-09 US disclosed
CN-1302833-A Malic acid diester surfactant AIR PROD & CHEM (US) 2001-07-11 CN disclosed
EP-1095988-A2 Malic acid diester surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-05-02 EP 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD CPT2 369/4885ACLY 964/4885HMGCR 173/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD CPT2 331/4885ACLY 957/4885HMGCR 219/4885

“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.