Acetone

Acetone

SCHEMBL538074

CC(C)=O.N=C(CCC(=O)OC(=O)c1cccnc1NN)OC(=O)c1cccnc1NN

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
P2RX7 Q99572 1/20 0.38
HTT P42858 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 1/20 0.37
CNR2 P34972 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
AHR P35869 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL14954478 0.95 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EHSD17B10P2RX7
SCHEMBL2185979 0.80 P2RX7 (0.39) ALDH1A1HPGDKDM4EHSD17B10P2RX7
Acetone SCHEMBL44217 0.77 MAPK8 (0.37) ALDH1A1KDM4EL3MBTL1TDP1LMNA
Acetone SCHEMBL16337583 0.76 MAPK8 (0.36) ALDH1A1KDM4EL3MBTL1TDP1LMNA
SCHEMBL4352598 0.73 KDM4E (0.55) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL4331088 0.73 MAPK8 (0.37) ALDH1A1KDM4ETDP1
SCHEMBL1179791 0.72 HTT (0.65) ALDH1A1HPGDKDM4EHSD17B10P2RX7
Acetone SCHEMBL1019108 0.72 NNMT (0.37) KDM4EL3MBTL1TDP1LMNAMAPT
Acetone SCHEMBL3359266 0.72 DHODH (0.58) ALDH1A1KDM4EP2RX7HTTL3MBTL1
Acetone SCHEMBL17732267 0.71 NNMT (0.36) KDM4EL3MBTL1TDP1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130084561-A1 BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY COULL JAMES M (US) 2013-04-04 US 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
US-20110059458-A1 COMPOSITIONS AND METHODS FOR CATALYZING DNA-PROGRAMMED CHEMISTRY ENSEMBLE THERAPEUTICS CORPORATION 2011-03-10 US disclosed
US-20100159455-A1 RECEPTOR FAMILY PROFILING ENSEMBLE DISCOVERY 2010-06-24 US disclosed
US-20090275142-A1 COMPOSITIONS AND METHODS FOR BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY ENSEMBLE THERAPEUTICS CORPORATION 2009-11-05 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
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 (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-20090275142-A1 COMPOSITIONS AND METHODS FOR BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY POLRMT, NT5C3B, RNGTT ALDH1A1 3803/4885HPGD 3447/4885KDM4E 3219/4885
US-20110059458-A1 COMPOSITIONS AND METHODS FOR CATALYZING DNA-PROGRAMMED CHEMISTRY POLRMT, POLN, POLM ALDH1A1 2310/4885HPGD 1261/4885KDM4E 3449/4885

“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.