Acetone

Acetone

SCHEMBL538075

CC(C)=O.NNc1ncccc1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
HTT P42858 2/20 0.37
ALDH1A1 P00352 5/20 0.37
P2RX7 Q99572 1/20 0.37
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 1/20 0.35
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MGLL Q99685 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL1923452 0.96 CNR2 (0.41) CNR2HTTALDH1A1P2RX7KDM4E
Hydrochloric Acid SCHEMBL7062209 0.95 CNR2 (0.40) CNR2HTTALDH1A1P2RX7KDM4E
SCHEMBL8117545 0.77 GAA (0.38) CNR2HTTALDH1A1KDM4EHPGD
Acetone SCHEMBL44218 0.76 GAA (0.38) ALDH1A1KDM4EMAPTTDP1MGLL
Acetone SCHEMBL16337585 0.75 GAA (0.37) ALDH1A1KDM4EMAPTTDP1MGLL
SCHEMBL4449083 0.75 L3MBTL1 (0.39) HTTALDH1A1RAB9ANPC1TDP1
SCHEMBL15066590 0.74 KDM4E (0.50) HTTALDH1A1P2RX7KDM4EHPGD
Acetone SCHEMBL3359266 0.73 DHODH (0.58) HTTALDH1A1P2RX7KDM4ERAB9A
SCHEMBL74375 0.72 TSHR (0.49) HTTALDH1A1KDM4EHPGDHSD17B10
Acetone SCHEMBL1019109 0.72 MAPK1 (0.40) KDM4ERAB9ANPC1MAPTMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130052204-A1 (POLY)-GLYCEROLPHOSPHATE-BASED ANTI-GRAM POSITIVE BACTERIAL VACCINE THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. 2013-02-28 US claimed
EP-2501403-A2 (POLY)-GLYCEROLPHOSPHATE-BASED ANTI-GRAM POSITIVE BACTERIAL VACCINE The Henry M. Jackson Foundation for the Advancement of Military Medicine, Inc. (US) 2012-09-26 EP claimed
WO-2011060379-A2 (POLY)-GLYCEROLPHOSPHATE-BASED ANTI-GRAM POSITIVE BACTERIAL VACCINE SNAPPER CLIFFORD M (US) 2011-05-19 WO claimed
CN-101248189-B Related applications of chemical biological detection by nucleic acid template ENSEMBLE DISCOVERY CORP 2013-05-01 CN disclosed
US-20130084561-A1 BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY COULL JAMES M (US) 2013-04-04 US disclosed
US-20130052204-A1 (POLY)-GLYCEROLPHOSPHATE-BASED ANTI-GRAM POSITIVE BACTERIAL VACCINE THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. 2013-02-28 US disclosed
EP-2501403-A2 (POLY)-GLYCEROLPHOSPHATE-BASED ANTI-GRAM POSITIVE BACTERIAL VACCINE The Henry M. Jackson Foundation for the Advancement of Military Medicine, Inc. (US) 2012-09-26 EP disclosed
EP-2064348-B1 RECEPTOR FAMILY PROFILING ENSEMBLE THERAPEUTICS CORP (US) 2012-02-08 EP disclosed
US-8071388-B2 Compositions and methods for biodetection by nucleic acid-templated chemistry ENSEMBLE THERAPEUTICS CORPORATION (US) 2011-12-06 US disclosed
WO-2011060379-A2 (POLY)-GLYCEROLPHOSPHATE-BASED ANTI-GRAM POSITIVE BACTERIAL VACCINE SNAPPER CLIFFORD M (US) 2011-05-19 WO disclosed
US-20110059458-A1 COMPOSITIONS AND METHODS FOR CATALYZING DNA-PROGRAMMED CHEMISTRY ENSEMBLE THERAPEUTICS CORPORATION 2011-03-10 US disclosed
WO-2009105657-A1 COMPOSITIONS AND METHODS FOR CATALYZING DNA-PROGRAMMED CHEMISTRY ENSEMBLE DISCOVERY CORPORATION (US) 2009-08-27 WO disclosed
EP-2066813-A2 COMPOSITIONS AND METHODS FOR BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY Ensemble Discovery Corporation (US) 2009-06-10 EP disclosed
EP-2064348-A2 RECEPTOR FAMILY PROFILING Ensemble Discovery Corporation (US) 2009-06-03 EP disclosed
CN-101248189-A Related applications of chemical biological detection by nucleic acid template ENSEMBLE DISCOVERY CORP (US) 2008-08-20 CN disclosed
WO-2008054600-A2 COMPOSITIONS AND METHODS FOR BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY ENSEMBLE DISCOVERY CORPORATION (US) 2008-05-08 WO disclosed
WO-2008036273-A2 RECEPTOR FAMILY PROFILING ENSEMBLE DISCOVERY CORPORATION (US) 2008-03-27 WO disclosed
EP-1885891-A2 BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY Ensemble Discovery Corporation (US) 2008-02-13 EP disclosed
US-20070154899-A1 Biodetection by nucleic acid-templated chemistry ENSEMBLE THERAPEUTICS CORPORATION 2007-07-05 US disclosed
WO-2006128138-A2 BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY ENSEMBLE DISCOVERY CORPORTION (US) 2006-11-30 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 (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-20110059458-A1 COMPOSITIONS AND METHODS FOR CATALYZING DNA-PROGRAMMED CHEMISTRY POLRMT, POLN, POLM CNR2 4698/4885HTT 753/4885ALDH1A1 2310/4885

“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.