Acetone

Acetone

SCHEMBL3833129

C=C.CC(C)=O.CCOC(C)OCC

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.36
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31

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 SCHEMBL590699 0.95 LMNA (0.71) LMNAALDH1A1HSD17B10THRBTSHR
Butanone SCHEMBL9440666 0.90 LMNA (0.57) LMNAALDH1A1HSD17B10THRBTSHR
Acetone SCHEMBL1036956 0.90 LMNA (0.63) LMNAALDH1A1HSD17B10THRBTSHR
Acetone SCHEMBL16666366 0.87 LMNA (0.60) LMNAALDH1A1HSD17B10THRBTSHR
Acetic Acid SCHEMBL23907968 0.86 LMNA (0.67) LMNAALDH1A1HSD17B10THRBTSHR
Butanedione SCHEMBL4368674 0.86 LMNA (0.67) LMNAALDH1A1HSD17B10THRBTSHR
Acetic Acid SCHEMBL222953 0.86 LMNA (0.67) LMNAALDH1A1HSD17B10THRBTSHR
Ethylene SCHEMBL11548600 0.86 LMNA (0.52) LMNAALDH1A1HSD17B10THRBTDP1
Ethylene SCHEMBL4935788 0.86 LMNA (0.75) LMNATHRB
Ethylene SCHEMBL555416 0.86 LMNA (0.86) LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109293472-A A kind of method that alkynol prepares enol through partial hydrogenation 万华化学集团股份有限公司 2019-02-01 CN claimed
CN-109293472-A A kind of method that alkynol prepares enol through partial hydrogenation 万华化学集团股份有限公司 2019-02-01 CN disclosed
EP-1686114-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYLCYSTEINE, DERIVATIVE THEREOF, AND PROCESSES FOR PRODUCTION MITSUBISHI GAS CHEMICAL CO (JP) 2009-10-07 EP disclosed
US-20090030210-A1 Process for Producing Optically Active 2-Alkylcysteine, Derivative Thereof, and Processes for Production MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-01-29 US disclosed
US-7470525-B2 Process for producing optically active 2-alkycysteine, derivative thereof, and processes for production MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-12-30 US disclosed
US-20070037260-A1 allowing cells of microorganism or treated products thereof having an activity of stereoselective hydrolysis of the amide bond of a 2-alkyl-L-cysteinamide or a salt thereof to act on a 2-alkylcysteinamide consisting of a mixture of D- and L-isomers or a salt thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-02-15 US disclosed
EP-1686114-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYLCYSTEINE, DERIVATIVE THEREOF, AND PROCESSES FOR PRODUCTION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-08-02 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 (1 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-20090030210-A1 Process for Producing Optically Active 2-Alkylcysteine, Derivative Thereof, and Processes for Production AADAT, CBS, CTH LMNA 4238/4885ALDH1A1 444/4885HSD17B10 1592/4885

“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.