Acetone

Acetone

SCHEMBL5983365

CC(C)=O.CCCCCCC(CCCCCC)(CCCCCC)C(C)=O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.47
GGPS1 O95749 6/20 0.45
FDPS P14324 8/20 0.43
EPHX1 P07099 2/20 0.43
CES1 P23141 2/20 0.42

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 SCHEMBL10601124 1.00 CES2 (0.47) CES2GGPS1FDPSEPHX1CES1
SCHEMBL4361811 0.98 CES2 (0.48) CES2GGPS1FDPSEPHX1CES1
SCHEMBL5027714 0.96 CES2 (0.44) CES2GGPS1FDPSEPHX1
SCHEMBL8898953 0.93 CES2 (0.41) CES2GGPS1FDPSCES1
SCHEMBL5032181 0.89 CES2 (0.42) CES2GGPS1FDPSEPHX1
SCHEMBL6918609 0.88 CES2 (0.45) CES2GGPS1FDPSEPHX1CES1
SCHEMBL5171452 0.88 CES2 (0.45) CES2GGPS1FDPSEPHX1CES1
SCHEMBL2709008 0.88 CES2 (0.45) CES2GGPS1FDPSEPHX1CES1
SCHEMBL5030363 0.86 CES2 (0.44) CES2GGPS1FDPSEPHX1
SCHEMBL29406337 0.86 CYP4F2 (0.42) CES2GGPS1FDPSCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-12-05 US disclosed
CN-111741948-B Saturated ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof 日本烟草产业株式会社 2023-11-10 CN disclosed
EP-3760619-B1 SATURATED RING-CONDENSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUND, AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2023-10-25 EP disclosed
US-20220119355-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2022-04-21 US disclosed
EP-3760619-A1 SATURATED RING-CONDENSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUND, AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2021-01-06 EP disclosed
CN-111741948-A Saturated ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof 日本烟草产业株式会社 2020-10-02 CN disclosed
US-20190300490-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2019-10-03 US disclosed
US-8367623-B2 Glycolipid and medicine for autoimmune disease containing the same as active ingredient JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2013-02-05 US disclosed
EP-1437358-B1 NOVEL GLYCOLIPID AND REMEDIAL AGENT FOR AUTOIMMUNE DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT DAIICHI ASUBIO PHARMA CO LTD (JP) 2006-10-18 EP disclosed
US-20060148723-A1 Novel glycolipid and medicine for autoimmune disease containing the same as active ingredient JAPAN AS REPRESENTED BY PRESIDENT OF NATIONAL CENTER OF NEUROLOGY AND PSYCHIATRY (JP) 2006-07-06 US disclosed
EP-1437358-A1 NOVEL GLYCOLIPID AND REMEDIAL AGENT FOR AUTOIMMUNE DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP disclosed
US-5194634-A Coenzyme A inhibitors E. R. SQUIBB & SONS, INC. (US) 1993-03-16 US disclosed
US-5157134-A HMG-COA reductase inhibitors; antilipemic agents; promotes high-density lipoproteins; antitumor agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 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 (4 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-20190300490-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF RORC, RORB, RORA CES2 4253/4885GGPS1 517/4885FDPS 191/4885
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof RORC, RORB, RORA CES2 4341/4885GGPS1 590/4885FDPS 232/4885
US-20060148723-A1 Novel glycolipid and medicine for autoimmune disease containing the same as active ingredient SGMS1, ZDHHC20, UGCG CES2 2199/4885GGPS1 510/4885FDPS 1998/4885
US-20220119355-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF RORC, RORB, RORA CES2 4341/4885GGPS1 590/4885FDPS 232/4885

“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.