SCHEMBL3014435

SCHEMBL3014435

CCCCCC(=O)C(=O)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.58
CES1 P23141 5/20 0.58
FAAH O00519 2/20 0.58
ALDH1A1 P00352 1/20 0.52
DGKA P23743 1/20 0.52
TSHR P16473 3/20 0.52
ATM Q13315 1/20 0.48
NAAA Q02083 1/20 0.47
HPGD P15428 1/20 0.45
AKR1B1 P15121 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL8167954 0.98 FAAH (0.61) CES2CES1FAAHALDH1A1DGKA
SCHEMBL9340088 0.98 FAAH (0.61) CES2CES1FAAHALDH1A1DGKA
SCHEMBL8639413 0.96 CES2 (0.58) CES2CES1FAAHALDH1A1DGKA
SCHEMBL9002877 0.94 FAAH (0.61) CES2CES1FAAHDGKATSHR
SCHEMBL9002350 0.94 FAAH (0.61) CES2CES1FAAHDGKATSHR
SCHEMBL10882394 0.94 FAAH (0.61) CES2CES1FAAHDGKATSHR
SCHEMBL910006 0.93 CES1 (0.56) CES2CES1FAAHALDH1A1DGKA
SCHEMBL10881373 0.92 FAAH (0.59) CES2CES1FAAHDGKATSHR
SCHEMBL10879340 0.92 FAAH (0.59) CES2CES1FAAHDGKATSHR
SCHEMBL10878913 0.92 FAAH (0.59) CES2CES1FAAHDGKATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10248591-A None JP disclosed
EP-4329743-A1 PYRUVATE ESTERS FOR THE TREATMENT OF VIRAL DISEASES Birkenmeier, Gerd (DE) 2024-03-06 EP disclosed
WO-2022228651-A1 PYRUVATE ESTERS FOR THE TREATMENT OF VIRAL DISEASES BIRKENMEIER GERD (DE) 2022-11-03 WO disclosed
WO-2022228652-A1 MEANS AND METHOD FOR TREATING VIRAL INFECTIONS BIRKENMEIER GERD (DE) 2022-11-03 WO 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-1877141-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GM (DE) 2013-06-12 EP disclosed
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria BIOMAC PRIVATINSTITUT FUR MEDIZINISHE UND ZAHMEDIZ FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2010-08-12 US disclosed
CN-1678961-B Removing solution DAIKIN IND LTD 2010-05-05 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-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-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-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
JP-H10248591-A PRODUCTION OF OPTICALLY ACTIVE ALCOHOL SUMITOMO CHEM CO LTD 1998-09-22 JP disclosed
US-4365086-A CURING AGENTS FOR THERMOPLASTIC ELASTOMERS PENNWALT CORPORATION (US) 1982-12-21 US disclosed
US-4328360-A VULCANIZING AGENT FOR THERMOPLASTIC RESINS PENNWALT CORPORATION (US) 1982-05-04 US disclosed
US-4052543-A VULCANIZABLE AND VULCANIZED COMPOSITIONS CONTAINING POLYPEROXIDE PENNWALT CORPORATION (US) 1977-10-04 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 (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-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents GLO1, G6PD, GRHPR CES2 1309/4885CES1 338/4885FAAH 3459/4885
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria GLO1, G6PD, GRHPR CES2 780/4885CES1 236/4885FAAH 2407/4885

“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.