SCHEMBL2039596

SCHEMBL2039596

CC1=C(CCC(C)C=C(C(=O)O)C(=O)O)C(C)(C)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
RXRA P19793 2/20 0.45
RARA P10276 1/20 0.45
TRPA1 O75762 5/20 0.41
HAO1 Q9UJM8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 1/20 0.36
ALOX5 P09917 1/20 0.36
ALOX15 P16050 1/20 0.36
ACE2 Q9BYF1 2/20 0.35
PDCD1 Q15116 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
SCHEMBL10044179 0.91 TRPA1 (0.44) RARBRARGRXRARARATRPA1
SCHEMBL9953603 0.91 TRPA1 (0.44) RARBRARGRXRARARATRPA1
SCHEMBL16606707 0.91 TRPA1 (0.44) RARBRARGRXRARARATRPA1
SCHEMBL1636049 0.86 TRPA1 (0.46) RARBRARGRXRARARATRPA1
SCHEMBL2033387 0.85 TRPA1 (0.43) RARBRARGRXRARARATRPA1
SCHEMBL18084307 0.85 TRPA1 (0.41) RARBRARGRXRARARATRPA1
SCHEMBL9202931 0.84 RARB (0.41) RARBRARGRXRARARATRPA1
SCHEMBL13554953 0.83 ALDH1A1 (0.41) RARBRARGRXRARARATRPA1
SCHEMBL9205369 0.82 CYP1A2 (0.49) RARBRARGRXRARARATRPA1
SCHEMBL9201572 0.82 CYP1A2 (0.49) RARBRARGRXRARARATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268346-B1 PROCESSES FOR THE PREPARATION OF UNSATURATED MALONATES INT FLAVORS & FRAGRANCES INC (US) 2021-05-05 EP disclosed
CN-107428662-B Process for the preparation of unsaturated malonic esters 国际香料和香精公司 2021-04-23 CN disclosed
US-10081613-B2 2-(alkoxy or aryloxy carbonyl)-4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hex-2-enoic acid compounds, its preparation and use Givaudan, S.A. (CH) 2018-09-25 US disclosed
EP-2513030-B2 BETA-GAMMA UNSATURATED ESTERS AND PROCESS OF PRODUCTION OF BETA-GAMMA UNSATURATED ESTERS. GIVAUDAN SA (CH) 2018-08-29 EP disclosed
EP-2655325-B1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE GIVAUDAN SA (CH) 2018-04-18 EP disclosed
EP-2655325-B1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE GIVAUDAN SA (CH) 2018-04-18 EP disclosed
EP-1989170-B1 PROCESS FOR THE PREPARATION OF BETA-GAMMA ENE CARBONYL DERIVATIVES FIRMENICH & CIE (CH) 2018-04-11 EP disclosed
EP-3268346-A1 PROCESSES FOR THE PREPARATION OF UNSATURATED MALONATES International Flavors & Fragrances Inc. (US) 2018-01-17 EP disclosed
US-20170305875-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1- ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE GIVAUDAN SA (CH) 2017-10-26 US disclosed
US-20170305875-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1- ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE GIVAUDAN SA (CH) 2017-10-26 US disclosed
US-8765980-B2 Organic compounds GIVAUDAN S.A. (CH) 2014-07-01 US disclosed
EP-2655325-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE Givaudan SA (CH) 2013-10-30 EP disclosed
US-20120271059-A1 Organic Compounds GIVAUDAN SA (CH) 2012-10-25 US disclosed
EP-2513030-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2012-10-24 EP disclosed
WO-2012085056-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE GIVAUDAN SA (CH) 2012-06-28 WO disclosed
WO-2012085056-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE GIVAUDAN SA (CH) 2012-06-28 WO disclosed
WO-2011073387-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-06-23 WO disclosed
US-20100168462-A1 PROCESS FOR THE PREPARATION OF BETA-GAMMA ENE CARBONYL DERIVATIVES FIRMENICH SA (CH) 2010-07-01 US disclosed
EP-1989170-A1 PROCESS FOR THE PREPARATION OF BETA-GAMMA ENE CARBONYL DERIVATIVES Firmenich S.A. (CH) 2008-11-12 EP disclosed
WO-2007096791-A1 PROCESS FOR THE PREPARATION OF BETA-GAMMA ENE CARBONYL DERIVATIVES FIRMENICH SA (CH) 2007-08-30 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 (4 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-20170305875-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1- ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE HRH2, HRH1, ENY2 RARB 432/4885RARG 574/4885RXRA 195/4885
US-20100168462-A1 PROCESS FOR THE PREPARATION OF BETA-GAMMA ENE CARBONYL DERIVATIVES GNE, ECH1, ECI1 RARB 592/4885RARG 567/4885RXRA 1347/4885
US-20120271059-A1 Organic Compounds HSD17B12, HSD17B1, MAL2 RARB 408/4885RARG 568/4885RXRA 1041/4885
US-10081613-B2 2-(alkoxy or aryloxy carbonyl)-4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hex-2-enoic acid compounds, its preparation and use HRH2, HRH1, ENY2 RARB 432/4885RARG 574/4885RXRA 195/4885

“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.