Acetone

Acetone

SCHEMBL6032202

CC(C)=O.CCO.ClCCl

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TSHR P16473 4/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 3/20 0.44
THPO P40225 1/20 0.43
FFAR3 O14843 2/20 0.35
CA4 P22748 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TRPA1 O75762 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
TP53 P04637 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 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
Acetic Acid SCHEMBL2569555 0.89 FFAR3 (0.50) ALDH1A1TSHRLMNATDP1THPO
Acetone SCHEMBL100424 0.88
Acetone SCHEMBL6859028 0.88 LMNA (0.60) ALDH1A1TSHRLMNATDP1THPO
Acetone SCHEMBL1831044 0.88 LMNA (0.60) ALDH1A1TSHRLMNATDP1THPO
Acetone SCHEMBL1244296 0.88 LMNA (0.60) ALDH1A1TSHRLMNATDP1THPO
Acetone SCHEMBL292856 0.88 LMNA (0.60) ALDH1A1TSHRLMNATDP1THPO
Acetone SCHEMBL6859109 0.88 LMNA (0.60) ALDH1A1TSHRLMNATDP1THPO
Acetone SCHEMBL9217023 0.88 LMNA (0.60) ALDH1A1TSHRLMNATDP1THPO
Acetone SCHEMBL6859386 0.88 LMNA (0.60) ALDH1A1TSHRLMNATDP1THPO
Acetone SCHEMBL4095931 0.88 LMNA (0.60) ALDH1A1TSHRLMNATDP1THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586363-B Separation and purification method of L-silk-L-tyrosyl cyclodipeptide and D-silk-L-tyrosyl cyclodipeptide 苏州卫生职业技术学院 2021-07-02 CN claimed
CN-108586363-A A kind of process for separation and purification of L--L- junket Cyclic dipeptides and D--L- junket Cyclic dipeptides 苏州卫生职业技术学院 2018-09-28 CN claimed
CN-108586363-B Separation and purification method of L-silk-L-tyrosyl cyclodipeptide and D-silk-L-tyrosyl cyclodipeptide 苏州卫生职业技术学院 2021-07-02 CN disclosed
CN-107513089-B Novel cytidine derivative dimer and application thereof 常州方圆制药有限公司 2021-04-02 CN disclosed
EP-3369740-B1 NEW CYTIDINE DERIVATIVE DIMERS AND APPLICATIONS THEREOF Changzhou fangyuan pharmaceutical co ltd (CN) 2020-11-25 EP disclosed
CN-106146583-B Novel cytidine derivative and use thereof 常州方圆制药有限公司 2019-11-08 CN disclosed
US-20190151452-A1 Polymers Including Active Agents MICROVENTION, INC. 2019-05-23 US disclosed
US-10226533-B2 Polymer filaments including pharmaceutical agents and delivering same MICROVENTION, INC. (US) 2019-03-12 US disclosed
CN-106146584-B Novel cytidine derivative dimer and use thereof 常州方圆制药有限公司 2019-03-01 CN disclosed
EP-3137124-B1 POLYMERS INCLUDING ACTIVE AGENTS MICROVENTION INC (US) 2019-01-09 EP disclosed
CN-108586363-A A kind of process for separation and purification of L--L- junket Cyclic dipeptides and D--L- junket Cyclic dipeptides 苏州卫生职业技术学院 2018-09-28 CN disclosed
US-6534114-B2 Uses multi-slot coating apparatus to apply multiple liquid layers to moving substrate; high speed, for photographic film and paper products EASTMAN KODAK COMPANY 2003-03-18 US disclosed
US-20020160119-A1 Coating method EASTMAN KODAK COMPANY 2002-10-31 US disclosed
US-20020160120-A1 Coating method for modifying adhesion of thin films to substrates EASTMAN KODAK COMPANY 2002-10-31 US disclosed
US-4880806-A BACTERICIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-11-14 US disclosed
EP-0092352-B1 9-SUBSTITUTED CARBACYCLINS THE UPJOHN COMPANY (US) 1986-07-02 EP disclosed
US-4487960-A 9-Substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1984-12-11 US disclosed
US-4452986-A THROMBOXANE A2 SYNTHETASE INHIBITORS THE UPJOHN COMPANY (US) 1984-06-05 US disclosed
EP-0092352-A1 9-Substituted carbacyclins THE UPJOHN COMPANY (US) 1983-10-26 EP disclosed
EP-0069521-A2 Pyridinyl and imidazolyl derivatives of benzofurans and benzothiophenes THE UPJOHN COMPANY (US) 1983-01-12 EP 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-10226533-B2 Polymer filaments including pharmaceutical agents and delivering same MFAP1, ACTB, MAPT ALDH1A1 3852/4885TSHR 3615/4885LMNA 243/4885
US-20190151452-A1 Polymers Including Active Agents MFAP1, VCL, ACTB ALDH1A1 4019/4885TSHR 4588/4885LMNA 199/4885

“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.