SCHEMBL2829360

SCHEMBL2829360

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
HMGCR P04035 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
ADRA1A P35348 1/20 0.43
TSHR P16473 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
SLC13A5 Q86YT5 7/20 0.39
KDM4E B2RXH2 5/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9249667 0.94 ALDH1A1 (0.48) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL17243716 0.86 ALDH1A1 (0.41) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL9249653 0.86 ALDH1A1 (0.41) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL31675017 0.85 ALDH1A1 (0.52) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL6040141 0.85 ALDH1A1 (0.56) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL27783525 0.85 ALDH1A1 (0.56) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL17199778 0.83 ALDH1A1 (0.54) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2957592 0.83 ALDH1A1 (0.39) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL27590670 0.82 ALDH1A1 (0.62) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Citric Acid SCHEMBL31518964 0.80 ALDH1A1 (0.83) ALDH1A1HMGCRCHRM1TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3094176-A1 ANTIMICROBIAL COMPOSITIONS FOR FOOD PACKAGING CONSISTING OF SALICYLALDEHYDE AND CARVACROL, THYMOL OR THEIR MIXTURE INSTITUTO TECNOLÓGICO DEL EMBALAJE, TRANSPORTE Y LOGÍSTICA (ITENE) (ES) 2016-11-23 EP claimed
US-20160325911-A1 ANTIMICROBIAL COMPOSITIONS FOR FOOD PACKAGING CONSISTING OF SALICYLALDEHYDE AND CARVACROL, THYMOL OR THEIR MIXTURE INSTITUO TECHNOLOGICO DEL EMBALAJE TRANSPORTE Y LOGISTICA (ITENE) (ES) 2016-11-10 US claimed
CN-105960167-A Antimicrobial compositions for food packaging consisting of salicylaldehyde and carvacrol, thymol or their mixture 包装,运输及物流技术研究所(ITENE) 2016-09-21 CN claimed
WO-2015107089-A1 ANTIMICROBIAL COMPOSITIONS FOR FOOD PACKAGING CONSISTING OF SALICYLALDEHYDE AND CARVACROL, THYMOL OR THEIR MIXTURE INSTITUTO TECNOLÓGICO DEL EMBALAJE, TRANSPORTE Y LOGÍSTICA (ITENE) (ES) 2015-07-23 WO claimed
CN-108495887-B Liquid modifier as carrier system for CFA in expanded polystyrene 科莱恩塑料和涂料有限公司 2022-08-05 CN disclosed
US-11365302-B2 Liquid modifier as carrier system for CFAs in foamed polystyrenes CLARIANT PLASTICS & COATINGS LTD (CH) 2022-06-21 US disclosed
EP-3420022-B1 LIQUID MODIFIER AS CARRIER SYSTEM FOR CFAS IN FOAMED POLYSTYRENES AVIENT SWITZERLAND GMBH (CH) 2022-03-30 EP disclosed
WO-2022027152-A1 POLYMER COATING COMPRISING CARVACROL AS A NATURAL VOLATILE ANTIMICROBIAL ACTIVE AGENT CARRIED IN A POLYMER VEHICLE DISSOLVED IN ORGANIC VOLATILE SOLVENT, AND FLEXIBLE POLYMER FILM INTERNALLY COMPRISING THE COATING, USEFUL FOR EXTENDING THE SHELF LIFE OF MEAT PRODUCTS UNIVERSIDAD DE SANTIAGO DE CHILE (CL) 2022-02-10 WO disclosed
EP-3161051-B1 COMPOSITION FOR PREPARING AN AMORPHOUS POLYMERIC FOAM USING A BENZYLIDENE SORBITOL NUCLEATING AGENT CLARIANT PLASTICS & COATINGS LTD (CH) 2021-07-07 EP disclosed
US-10882968-B2 Polypropylene foams and processes of making LCY CHEMICAL CORPORATION (TW) 2021-01-05 US disclosed
CN-107793635-B Polypropylene foam and preparation method thereof 李长荣化学工业股份有限公司 2020-06-12 CN disclosed
EP-3290467-B1 POLYPROPYLENE FOAMS AND PROCESSES OF MAKING LCY CHEMICAL CORP (TW) 2020-05-13 EP disclosed
US-20100152300-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME HELSINN HEALTHCARE SA (CH) 2010-06-17 US disclosed
US-7320997-B2 Pharmaceutical compositions including carotenoid ester analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320997-B2 Pharmaceutical compositions including carotenoid ester analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20050123867-A1 Silver halide elements containing activated precursors to thiocyanato stabilizers EASTMAN KODAK COMPANY 2005-06-09 US disclosed
CN-1527830-A Ether derivatives useful as inhibitors of PDE4 isozymes �Ʒ� 2004-09-08 CN disclosed
US-6686143-B1 Silver halide photographic elements containing bis Au(I) sensitizers EASTMAN KODAK COMPANY 2004-02-03 US disclosed
US-5391771-A Reacting citric acid or esters on hydrogenation catalyst in nonaqueous solvent BASF AKTIENGESELLSCHAFT 1995-02-21 US disclosed
US-4010253-A Process of suppressing odors employing deodorants containing esters of citric acid HENKEL & CIE G.M.B.H. (DT) 1977-03-01 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 (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-20100152300-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, UNG, ERCC5 ALDH1A1 3429/4885HMGCR 3218/4885CHRM1 4733/4885

“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.