SCHEMBL2822696

SCHEMBL2822696

CCCCOC(=O)C(=O)CCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
ATM Q13315 1/20 0.50
TSHR P16473 5/20 0.48
CES2 O00748 6/20 0.48
CES1 P23141 6/20 0.48
HPGD P15428 1/20 0.47
FAAH O00519 2/20 0.46
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
NAAA Q02083 1/20 0.43
DGKA P23743 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL16045044 0.93 ALDH1A1 (0.56) ALDH1A1ATMTSHRCES2CES1
SCHEMBL910006 0.91 CES1 (0.56) ALDH1A1ATMTSHRCES2CES1
SCHEMBL3014435 0.89 CES2 (0.58) ALDH1A1ATMTSHRCES2CES1
SCHEMBL8167954 0.87 FAAH (0.61) ALDH1A1ATMTSHRCES2CES1
SCHEMBL9340088 0.87 FAAH (0.61) ALDH1A1ATMTSHRCES2CES1
SCHEMBL16044475 0.86 TSHR (0.59) ALDH1A1TSHRCES2CES1FAAH
SCHEMBL909822 0.86 CES2 (0.52) ALDH1A1TSHRCES2CES1FAAH
SCHEMBL18735392 0.85 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDESR1
SCHEMBL7638605 0.85 DGKA (0.53) ALDH1A1ATMTSHRHPGDFAAH
SCHEMBL15515064 0.85 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020002138-A1 C5 OR C6 ACID ESTER-BASED CATALYST AND USE THEREOF IN A HYDROPROCESSING AND/OR HYDROCRACKING PROCESS IFP Energies Nouvelles (FR) 2020-01-02 WO claimed
EP-4329743-A1 PYRUVATE ESTERS FOR THE TREATMENT OF VIRAL DISEASES Birkenmeier, Gerd (DE) 2024-03-06 EP disclosed
WO-2022228652-A1 MEANS AND METHOD FOR TREATING VIRAL INFECTIONS BIRKENMEIER GERD (DE) 2022-11-03 WO disclosed
WO-2022228651-A1 PYRUVATE ESTERS FOR THE TREATMENT OF VIRAL DISEASES BIRKENMEIER GERD (DE) 2022-11-03 WO disclosed
WO-2020002138-A1 C5 OR C6 ACID ESTER-BASED CATALYST AND USE THEREOF IN A HYDROPROCESSING AND/OR HYDROCRACKING PROCESS IFP Energies Nouvelles (FR) 2020-01-02 WO disclosed
CN-106187753-A A kind of method that mixed acid catalyst glucose prepares Butyl acetylpropanoate 华南理工大学 2016-12-07 CN disclosed
CN-105543023-A Solution for removing residue, method of removing the residue, and method for producing semiconductor device DAIKIN IND LTD 2016-05-04 CN disclosed
EP-1874407-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GMB (DE) 2015-09-09 EP disclosed
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
CN-101790458-A Method for making a lithographic printing plate AGFA GRAPHICS NV 2010-07-28 CN disclosed
CN-101785087-A Residue removing liquid after semiconductor dry process and residue removing method using the same DAIKIN IND LTD 2010-07-21 CN disclosed
US-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2008-12-04 US disclosed
EP-1924327-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE TO COMBAT CANCER Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-05-28 EP disclosed
EP-1877141-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-01-16 EP disclosed
EP-1874407-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-01-09 EP disclosed
WO-2006108682-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108679-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE TO COMBAT CANCER BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108680-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST PROTOZOA AND HELMINTHES BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108681-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 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 (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-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents GLO1, G6PD, GRHPR ALDH1A1 492/4885ATM 1505/4885TSHR 4035/4885

“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.