SCHEMBL2303259

SCHEMBL2303259

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
FFAR3 O14843 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 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
SCHEMBL3543647 0.85 GABRR1 (0.33) ALDH1A1CYP1A2MEN1THRBKMT2A
SCHEMBL23451474 0.85
SCHEMBL29184106 0.85 ALDH1A1 (0.33) ALDH1A1CYP1A2MEN1THRBKMT2A
SCHEMBL10208075 0.82
SCHEMBL5445954 0.82 CA2 (0.33) ARG1ARG2
SCHEMBL9064172 0.82
SCHEMBL2510899 0.81 ALDH1A1 (0.36) ALDH1A1CYP1A2FFAR3MEN1THRB
SCHEMBL3700078 0.81 ALDH1A1 (0.36) ALDH1A1CYP1A2FFAR3MEN1THRB
SCHEMBL3550650 0.80 ARG1 (0.31) ARG1ARG2
SCHEMBL11589986 0.80 CES2 (0.37) ALDH1A1MEN1KMT2ATSHRARG1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2693896-B1 FRUITY FLAVORED COCOA PRODUCTS AND PROCESSES FOR PRODUCING SUCH COCOA PRODUCTS OLAM INTERNATIONAL LTD (SG) 2018-09-12 EP claimed
US-20080175800-A1 USE OF SPECIFIC MENTHYL 3-OXOCARBOXYLIC ACID ESTERS AS PHYSIOLOGICALLY ACTIVE COOLING SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-07-24 US claimed
EP-1276562-B1 DMC COMPLEX CATALYST AND PROCESS FOR ITS PREPARATION SHELL INT RESEARCH (NL) 2003-09-17 EP claimed
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 CN disclosed
CN-106602013-B Preparation method of sulfur-activated carbon/graphene composite material 中国科学院山西煤炭化学研究所 2020-11-27 CN disclosed
US-9663597-B2 Acrylic polyol resins compositions HEXICON INC. (US) 2017-05-30 US disclosed
US-9663597-B2 Acrylic polyol resins compositions HEXICON INC. (US) 2017-05-30 US disclosed
US-20140316030-A1 GLYCIDYL ESTERS OF ALPHA, ALPHA BRANCHED NEONONANOIC ACIDS, SYNTHESIS AND USES MOMENTIVE SPECIALTY CHEMICALS INC. (US) 2014-10-23 US disclosed
US-20140316030-A1 GLYCIDYL ESTERS OF ALPHA, ALPHA BRANCHED NEONONANOIC ACIDS, SYNTHESIS AND USES MOMENTIVE SPECIALTY CHEMICALS INC. (US) 2014-10-23 US disclosed
US-20140295193-A1 POLYESTER POLYOL RESINS COMPOSITIONS MOMENTIVE SPECIALTY CHEMICALS INC. (US) 2014-10-02 US disclosed
US-20140295193-A1 POLYESTER POLYOL RESINS COMPOSITIONS MOMENTIVE SPECIALTY CHEMICALS INC. (US) 2014-10-02 US disclosed
EP-1033360-B1 Process for preparing vinylesters from butene oligomers OXENO OLEFINCHEMIE GMBH (DE) 2003-09-17 EP disclosed
US-6500979-B1 CATALYST IS PRESENT IN THE CONTINUOUS PHASE AND AT LEAST ONE STARTING MATERIAL IS PRESENT IN A DISPERSED PHASE; INTER-MEDIATES FOR POLYMERS AND ADHESIVES OXENO OLEFINCHEMIE GMBH (DE) 2002-12-31 US disclosed
US-6433242-B1 SEPARATION OF ISOMER MIXTURE USING ZEOLITE CATALYST OXENO OLEFINCHEMIE GMBH (DE) 2002-08-13 US disclosed
US-6281372-B1 OLIGOMERIZING BUTENE WITH FIXED BED NICKEL CATALYST; SEPARATION; CARBOXYLATION; ESTERIFICATION OXENO OLEFINCHEMIE GMBH (DE) 2001-08-28 US disclosed
EP-1057525-A2 Process to perform catalysed multiphase reactions, especially vinylations of carboxylic acids Oxeno Olefinchemie GmbH (DE) 2000-12-06 EP disclosed
CN-1269352-A Method for preparing vinyl ester using butene low polymers OXNOLERTIN CHEMICAL CO LTD (DE) 2000-10-11 CN disclosed
CN-1266835-A Process for fractionation of dibutene OXENO OLEFINCHEMIE GMBH (DE) 2000-09-20 CN disclosed
EP-1033360-A1 Process for preparing vinylesters from butene oligomers Oxeno Olefinchemie GmbH (DE) 2000-09-06 EP disclosed
EP-1029839-A1 Process for fractionating dibutene Oxeno Olefinchemie GmbH (DE) 2000-08-23 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 (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-20080175800-A1 USE OF SPECIFIC MENTHYL 3-OXOCARBOXYLIC ACID ESTERS AS PHYSIOLOGICALLY ACTIVE COOLING SUBSTANCES ECI1, OTC, MDH2 ALDH1A1 748/4885CYP1A2 823/4885FFAR3 973/4885

“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.