SCHEMBL112407

SCHEMBL112407

CCCC(=O)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
FAAH O00519 2/20 0.55
ALDH1A1 P00352 5/20 0.46
FFAR3 O14843 3/20 0.43
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GLO1 Q04760 1/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL16046274 0.89 FAAH (0.53) FAAHALDH1A1LMNAHSD17B10NPSR1
Glycerin SCHEMBL27923640 0.85 FAAH (0.45) CES2CES1FAAHALDH1A1FFAR3
SCHEMBL3840637 0.85 CES2 (0.50) CES2CES1FAAHALDH1A1FFAR3
SCHEMBL910019 0.85 FAAH (0.67) CES2CES1FAAHALDH1A1LMNA
SCHEMBL3020461 0.84 GAA (0.44) CES2CES1FAAHALDH1A1FFAR3
SCHEMBL18101453 0.84 FAAH (0.60) CES2CES1FAAHALDH1A1LMNA
SCHEMBL3014656 0.83 FAAH (0.76) CES2CES1FAAHALDH1A1HSD17B10
SCHEMBL909822 0.82 CES2 (0.52) CES2CES1FAAHALDH1A1FFAR3
SCHEMBL28233813 0.82 FAAH (0.48) FAAHALDH1A1LMNAHSD17B10NPSR1
SCHEMBL10704882 0.82 FAAH (0.69) CES2CES1FAAHALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004771-A Method for producing organic sulfinate compound 中国石油化工股份有限公司 2025-05-16 CN claimed
CN-112047998-B Preparation method of perindopril 上海阿达玛斯试剂有限公司 2024-01-09 CN claimed
CN-113527867-B High-resilience antibacterial TPU (thermoplastic polyurethane) foam material and preparation method thereof 福建师范大学泉港石化研究院 2022-06-14 CN claimed
CN-111440492-B Coating with slow-release fragrance 广东佰朋实业有限公司 2021-12-10 CN claimed
CN-113527867-A High-resilience antibacterial TPU (thermoplastic polyurethane) foam material and preparation method thereof 福建师范大学泉港石化研究院 2021-10-22 CN claimed
CN-112047998-A Preparation method of perindopril 上海阿达玛斯试剂有限公司 2020-12-08 CN claimed
CN-111499657-A Synthetic method of isoquinoline oxazolidine 蚌埠学院 2020-08-07 CN claimed
CN-111440492-A Coating with slow-release fragrance 张孟杰 2020-07-24 CN claimed
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
US-20170239154-A1 PYRUVATE AND RELATED ALPHA-KETO CARBOXYLATES AS NOVEL ADJUVANTS IN THE TREATMENT OF POST TOOTH WHITENING SENSITIVITY AND THE TISSUE PROTECTIVE EFFECT OF PYRUVATE ON THE ORAL SOFT TISSUE RUSZNAK ZOLTAN (US) 2017-08-24 US claimed
EP-1494659-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-KETOALKANOIC ACID ESTER OR -AMIDE AND LACTIC ACID OR A LACTIC ACID SALT Critical Therapeutics, Inc. (US) 2005-01-12 EP claimed
US-20040110833-A1 Method of using pyruvate and/or its derivatives for the treatment of cytokine-mediated inflammatory conditions UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2004-06-10 US claimed
EP-1379230-A1 METHOD OF USING PYRUVATE AND/OR ITS DERIVATIVES FOR THE TREATMENT OF CYTOKINE-MEDIATED INFLAMMATORY CONDITIONS University of Pittsburgh of the Commonwealth System of Higher Education (US) 2004-01-14 EP claimed
US-20030232884-A1 New pharmaceutical formulation CRITICAL THERAPEUTICS, INC. 2003-12-18 US claimed
US-20030216470-A1 Method for treating ileus CRITICAL THERAPEUTICS, INC. 2003-11-20 US claimed
WO-2003088955-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-KETOALKANOIC ACID ESTER OR -AMINE AND LACTIC ACID OR A LACTIC ACID SALT CRITICAL THERAPEUTICS, INC. (US) 2003-10-30 WO claimed
US-20030073743-A1 Pyruvate ester composition and method of use for resuscitation after events of ischemia and reperfusion XANTHUS LIFE SCIENCES, INC. (CA) 2003-04-17 US claimed
WO-2002074301-A1 METHOD OF USING PYRUVATE AND/OR ITS DERIVATIVES FOR THE TREATMENT OF CYTOKINE-MEDIATED INFLAMMATORY CONDITIONS UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2002-09-26 WO claimed
EP-1233767-A1 PYRUVATE ESTER COMPOSITION AND METHOD OF USE FOR RESUSCITATION AFTER EVENTS OF ISCHEMIA AND REPERFUSION Xanthus Life Sciences, Inc. (CA) 2002-08-28 EP claimed
WO-2001024793-A1 PYRUVATE ESTER COMPOSITION AND METHOD OF USE FOR RESUSCITATION AFTER EVENTS OF ISCHEMIA AND REPERFUSION XANTHUS LIFE SCIENCES, INC. (CA) 2001-04-12 WO claimed

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-20030232884-A1 New pharmaceutical formulation LIPA, CEL, LDHA CES2 2709/4885CES1 890/4885FAAH 88/4885
US-20040110833-A1 Method of using pyruvate and/or its derivatives for the treatment of cytokine-mediated inflammatory conditions HMGB1, HMGB2, HMGB3 CES2 4394/4885CES1 622/4885FAAH 589/4885

“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.