Acetone

Acetone

SCHEMBL3486840

CC(C)=O.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
FFAR1 O14842 1/20 0.62
KEAP1 Q14145 1/20 0.61
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HDAC3 O15379 1/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56
HDAC4 P56524 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
CES2 O00748 1/20 0.52

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
Acetic Acid SCHEMBL7431776 0.94 ALDH1A1 (0.70) ALDH1A1FFAR1KEAP1HDAC1HDAC2
Acetic Acid SCHEMBL18305018 0.87 ALDH1A1 (0.61) ALDH1A1FFAR1KEAP1HDAC1HDAC2
Acetone SCHEMBL27894177 0.87 ALDH1A1 (0.61) ALDH1A1FFAR1KEAP1HDAC1HDAC2
Phenethylamine SCHEMBL11321112 0.85 TAAR1 (0.73) ALDH1A1FFAR1KEAP1HDAC1HDAC2
Phenyl Propionic Acid SCHEMBL27358200 0.85 KEAP1 (0.86) ALDH1A1FFAR1KEAP1HDAC1HDAC2
Methacrylic Acid SCHEMBL4656023 0.85 ALDH1A1 (0.59) ALDH1A1FFAR1KEAP1HDAC1HDAC2
Hydrogen Peroxide SCHEMBL10839871 0.85 TDP1 (0.71) ALDH1A1FFAR1KEAP1HDAC1HDAC2
Hydrogen Peroxide SCHEMBL10839772 0.85 TDP1 (0.71) ALDH1A1FFAR1KEAP1HDAC1HDAC2
SCHEMBL2354530 0.84 LMNA (0.77) ALDH1A1FFAR1HDAC1HDAC8SMN1; SMN2
Methacrylic Acid SCHEMBL31554944 0.84 ALDH1A1 (0.57) ALDH1A1FFAR1KEAP1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101092411-B Industrialized preparation method for 5 - formoxyl - 3 - ester thiohenic acid YAOMINGKANGDE NEW MEDICINES DEV CO LTD SHANGHAI 2012-03-07 CN claimed
CN-101092411-A Industrialized preparation method for 5 - formoxyl - 3 - ester thiohenic acid YAOMINGKANGDE NEW MEDICINES DE (CN) 2007-12-26 CN claimed
CN-1136202-C CO2 and propiolic reaction process of preparing 5-methylene-2-oxazolidone compounds 中国科学院上海有机化学研究所 2004-01-28 CN claimed
CN-1323790-A CO2 and propiolic reaction process of preparing 5-methylene-2-oxazolidone compounds SHANGHAI INST ORGANIC CHEM (CN) 2001-11-28 CN claimed
CN-119775478-A Dispersing resin, coloring composition for color filter, and solid-state imaging element 爱天思株式会社 2025-04-08 CN disclosed
CN-118271188-A Aromatic amine type organic compound, application thereof and organic electroluminescent device 北京鼎材科技有限公司 2024-07-02 CN disclosed
CN-118108607-A Triarylamine type organic compound, application thereof and organic electroluminescent device 北京鼎材科技有限公司 2024-05-31 CN disclosed
CN-118099173-A Solid-state imaging element, method for manufacturing solid-state imaging element, and electronic device 爱天思株式会社 2024-05-28 CN disclosed
CN-221033794-U Vehicular environment-friendly plastic sealing damping assembly 常州浩达科技股份有限公司 2024-05-28 CN disclosed
CN-114853778-B Organic electroluminescent material and application thereof 北京云基科技股份有限公司 2024-05-07 CN disclosed
CN-114341133-B Substituted cyanopyrrolidines having USP30 inhibitor activity 特殊治疗有限公司 2024-02-27 CN disclosed
CN-117466897-A Highly selective FGFR2 inhibitors 深圳福沃药业有限公司 2024-01-30 CN disclosed
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-08-22 US disclosed
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines BOARD OF REGENTS, THE 2002-02-28 US disclosed
CN-1323790-A CO2 and propiolic reaction process of preparing 5-methylene-2-oxazolidone compounds SHANGHAI INST ORGANIC CHEM (CN) 2001-11-28 CN disclosed
US-6262257-B1 SELECTIVE ION- AND NEUTRAL MOLECULE-BINDING AGENTS FORMING SUPRAMOLECULAR ENSEMBLES, AND ION- AND NEUTRAL MOLECULE-SEPARATION AGENTS BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2001-07-17 US disclosed
EP-0891364-A1 CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-01-20 EP disclosed
WO-1997037995-A1 CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-10-16 WO disclosed
CN-1141632-A 4-amino 6-substituted mycophenolic acid with immunosuppressive activity and derivatives thereof SYNTEX INC (US) 1997-01-29 CN disclosed
CN-1141040-A 6-substituted mycophenolic and derivatives with immunosuppressive activity SYNTEX INC (US) 1997-01-22 CN 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-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof CALD1, CALU, CLASP1 ALDH1A1 3510/4885FFAR1 1653/4885KEAP1 3618/4885
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines CALD1, DAP3, CALR ALDH1A1 4154/4885FFAR1 3654/4885KEAP1 3270/4885

“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.