Acetone

Acetone

SCHEMBL1019108

CC(C)=O.N=C(CCC(=O)OC(=O)c1ccc(NN)nc1)OC(=O)c1ccc(NN)nc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.37
HCAR3 P49019 10/20 0.35
MAPK1 P28482 2/20 0.35
HCAR2 Q8TDS4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GABRA5 P31644 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
Acetone SCHEMBL17732267 0.99 NNMT (0.36) NNMTHCAR3MAPK1HCAR2KDM4E
SCHEMBL5580002 0.96 NNMT (0.36) NNMTHCAR3MAPK1HCAR2KDM4E
Hydrochloric Acid SCHEMBL1235153 0.95 NNMT (0.35) NNMTHCAR3MAPK1HCAR2KDM4E
SCHEMBL23070480 0.88 NNMT (0.41) NNMTHCAR3MAPK1HCAR2KDM4E
SCHEMBL6756021 0.80
SCHEMBL1831271 0.78 GAA (0.38) HCAR3GABRA5L3MBTL1MEN1GAA
Acetone SCHEMBL993035 0.78 KDM4E (0.34) NNMTHCAR3MAPK1HCAR2KDM4E
Hydrochloric Acid SCHEMBL7910400 0.76 GAA (0.37) KDM4EMEN1LMNAGAAMAPT
Hydrochloric Acid SCHEMBL7910501 0.76 GAA (0.37) KDM4EMEN1LMNAGAAMAPT
SCHEMBL6307975 0.74 MAPT (0.40) L3MBTL1LMNAGAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022221706-A1 METHODS FOR ANTIBODY IDENTIFICATION AND QUANTIFICATION SEQTECH DIAGNOSTICS LLC (US) 2022-10-20 WO claimed
EP-2714752-B1 METHODS FOR COUPLING TARGETING PEPTIDES ONTO RECOMBINANT LYSOSOMAL ENZYMES FOR IMPROVED TREATMENTS OF LYSOSOMAL STORAGE DISEASES AMICUS THERAPEUTICS INC (US) 2017-11-22 EP claimed
US-8846875-B2 Preparation and/or purification of oligonucleotide conjugates SOLULINK, INC. (US) 2014-09-30 US claimed
WO-2014082080-A2 METHODS FOR COUPLING TARGETING PEPTIDES ONTO RECOMBINANT LYSOSOMAL ENZYMES FOR IMPROVED TREATMENTS OF LYSOSOMAL STORAGE DISEASES CALLIDUS BIOPHARMA, INC. (US) 2014-05-30 WO claimed
WO-2012166653-A2 METHODS FOR COUPLING TARGETING PEPTIDES ONTO RECOMBINANT LYSOSOMAL ENZYMES FOR IMPROVED TREATMENTS OF LYSOSOMAL STORAGE DISEASES CALLIDUS BIOPHARMA, INC. (US) 2012-12-06 WO claimed
US-20060153839-A1 Production of bispecific molecules using polyethylene glycol linkers ELUSYS THERAPEUTICS, INC. (US) 2006-07-13 US claimed
EP-1539811-A4 PRODUCTION OF BISPECIFIC MOLECULES USING POLYETHYLENE GLYCOL LINKERS ELUSYS THERAPEUTICS INC (US) 2006-05-24 EP claimed
EP-1539811-A2 PRODUCTION OF BISPECIFIC MOLECULES USING POLYETHYLENE GLYCOL LINKERS Elusys Therapeutics, Inc. (US) 2005-06-15 EP claimed
WO-2004024889-A2 PRODUCTION OF BISPECIFIC MOLECULES USING POLYETHYLENE GLYCOL LINKERS ELUSYS THERAPEUTICS, INC. (US) 2004-03-25 WO claimed
US-12019077-B2 Macromolecule analysis employing nucleic acid encoding Encodia, Inc. (US) 2024-06-25 US disclosed
US-12019078-B2 Macromolecule analysis employing nucleic acid encoding Encodia, Inc. (US) 2024-06-25 US disclosed
US-20240125792-A1 KITS FOR ANALYSIS USING NUCLEIC ACID ENCODING AND/OR LABEL DF PEPTIDE ACQUISITION LLC 2024-04-18 US disclosed
US-11959922-B2 Macromolecule analysis employing nucleic acid encoding Encodia, Inc. (US) 2024-04-16 US disclosed
EP-4323517-A2 COMPOSITIONS CONTAINING NUCLEIC ACID NANOPARTICLES AND PROCESSES RELATED TO ALTERATION OF THEIR PHYSICOCHEMICAL CHARACTERISTICS Sixfold Bioscience Ltd. (GB) 2024-02-21 EP disclosed
EP-1305327-A2 TRIPHOSPHATE OLIGONUCLEOTIDE MODIFICATION REAGENTS AND USES THEREOF Schwartz, David A. (US) 2003-05-02 EP disclosed
US-20030013857-A1 Hydrazine-based and carbonyl-based bifunctional crosslinking reagents SOLULINK INCORPORATED 2003-01-16 US disclosed
US-20020146504-A1 Ternary biomolecule/polymer/surface-based immobilization systems AUDAX PRIVATE DEBT LLC, AS AGENT 2002-10-10 US disclosed
WO-2002057422-A2 TERNARY BIOMOLECULE/POLYMER/SURFACE-BASED IMMOBILIZATION SYSTEMS SCHWARTZ DAVID A (US) 2002-07-25 WO disclosed
WO-2002010432-A2 TRIPHOSPHATE OLIGONUCLEOTIDE MODIFICATION REAGENTS AND USES THEREOF SCHWARTZ DAVID A (US) 2002-02-07 WO disclosed
WO-2001070685-A2 HYDRAZINE-BASED AND CARBONYL-BASED BIFUNCTIONAL CROSSLINKING REAGENTS SOLULINK, INCORPORATED (US) 2001-09-27 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 (3 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-20020146504-A1 Ternary biomolecule/polymer/surface-based immobilization systems EPCAM, DNPEP, ANPEP NNMT 1358/4885HCAR3 467/4885MAPK1 3974/4885
US-20060153839-A1 Production of bispecific molecules using polyethylene glycol linkers TNFSF11, TNFSF10, CLTA NNMT 4318/4885HCAR3 1066/4885MAPK1 2259/4885
US-20030013857-A1 Hydrazine-based and carbonyl-based bifunctional crosslinking reagents HLCS, DUOX1, HAO2 NNMT 607/4885HCAR3 626/4885MAPK1 3810/4885

“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.