SCHEMBL3827474

SCHEMBL3827474

CCOC(=O)CC(=O)CI

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
MGAM O43451 1/20 0.64
SI P14410 1/20 0.64
MGAM2 Q2M2H8 1/20 0.64
ALDH1A1 P00352 4/20 0.46
TRPA1 O75762 1/20 0.46
FAAH O00519 1/20 0.41
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 2/20 0.39
SOAT1 P35610 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
Butane SCHEMBL28630455 0.96 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL155563 0.85 GAA (0.78) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28650988 0.82 GAA (0.74) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11802053 0.82 FAAH (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14420991 0.82 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28620241 0.80 FAAH (0.59) ALDH1A1FAAHTSHRL3MBTL1
SCHEMBL181997 0.80 GAA (0.70) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL145800 0.79
Malonic Acid Diethyl Ester SCHEMBL1331187 0.79 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331824 0.79 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053479-B Method for synthesizing quaternary amine inner salt 兆科药业(合肥)有限公司 2021-09-07 CN claimed
CN-105061338-A 3-methyl-quinoxaline-2-carboxylic acid chemical synthesis method based on ionic liquid system PINGYUAN WEIFENG YONGZHU TECHNOLOGY CO LTD 2015-11-18 CN claimed
US-12577373-B2 Carbodiimide composition, curing agent composition, coating composition and resin cured product ASAHI KASEI KABUSHIKI KAISHA (JP) 2026-03-17 US disclosed
US-20230135772-A1 CARBODIIMIDE COMPOSITION, CURING AGENT COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-05-04 US disclosed
EP-4130154-A1 CARBODIIMIDE COMPOSITION, HARDENER COMPOSITION, COATING COMPOSITION, AND CURED RESIN OBJECT Asahi Kasei Kabushiki Kaisha (JP) 2023-02-08 EP disclosed
CN-109053479-B Method for synthesizing quaternary amine inner salt 兆科药业(合肥)有限公司 2021-09-07 CN disclosed
CN-105061338-A 3-methyl-quinoxaline-2-carboxylic acid chemical synthesis method based on ionic liquid system PINGYUAN WEIFENG YONGZHU TECHNOLOGY CO LTD 2015-11-18 CN disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
WO-2011020564-A1 NOVEL METHOD FOR PRODUCING 4-AMINOBUT-2-ENOLIDES BAYER CROPSCIENCE AG (DE) 2011-02-24 WO disclosed
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
EP-1449923-B1 NOVEL FORMATE DEHYDROGENASE TOLERANT TO HALOGEN COMPOUNDS AND PROCESS FOR PRODUCING THE SAME KANEKA CORP (JP) 2009-09-16 EP disclosed
US-20040248250-A1 Method for modifying enzyme and oxidoreductive variant KANEKA CORPORATION (JP) 2004-12-09 US disclosed
EP-0967271-B1 NOVEL CARBONYL REDUCTASE, GENE THAT ENCODES THE SAME, AND METHOD OF UTILIZING THESE KANEKA CORP (JP) 2004-10-20 EP disclosed
EP-1449923-A1 NOVEL FORMATE DEHYDROGENASE TOLERANT TO HALOGEN COMPOUNDS AND PROCESS FOR PRODUCING THE SAME KANEKA CORPORATION (JP) 2004-08-25 EP disclosed
EP-1416050-A1 METHOD OF MODIFYING ENZYME AND OXIDOREDUCTASE VARIANT KANEKA CORPORATION (JP) 2004-05-06 EP disclosed
US-6448052-B2 TO CONVERT ETHYL 4-CHLOROACETOACETATE USING NADPH AS A COENZYME TO PRODUCE ETHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE; SUBSTRATE SPECIFICITY, NO ACTIVITY TO ETHYL ACETOACETATE, SPECIFIED OPTIMAL PH AND TEMPERATURE; ENZYME FROM CANDIDA KANEKA CORPORATION (JP) 2002-09-10 US disclosed
US-20020006651-A1 Carbonyl reductase enzyme and methods for its use KANEKA CORPORATION 2002-01-17 US disclosed
US-6218156-B1 DNA WHICH CODES FOR ENZYME THAT CONVERTS ETHYL 4-CHLOROACETOACETATE TO ETHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE; FOR OPTICALLY ACTIVE ALCOHOLS USED AS RAW MATERIALS IN DRUG AND AGRICULTURAL CHEMICAL PRODUCTION KANEKA CORPORATION (JP) 2001-04-17 US disclosed
EP-0967271-A1 NOVEL CARBONYL REDUCTASE, GENE THAT ENCODES THE SAME, AND METHOD OF UTILIZING THESE KANEKA CORPORATION (JP) 1999-12-29 EP disclosed
US-4039570-A DISPERSING AGENTS LONZA LTD. (CH) 1977-08-02 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-12577373-B2 Carbodiimide composition, curing agent composition, coating composition and resin cured product CD38, PARP9, MCCC2 GAA 2462/4885MGAM 1246/4885SI 2460/4885
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) FABP4, FABP1, FABP3 GAA 918/4885MGAM 1074/4885SI 851/4885

“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.