Acetone

Acetone

SCHEMBL472703

CC(C)=O.NC[C@H]1O[C@@H](n2cnc3c(C4CCOC4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.52
ADORA3 P0DMS8 6/20 0.52
ADORA2A P29274 5/20 0.52
ADORA2B P29275 3/20 0.52
SLC28A1 O00337 2/20 0.52
SLC29A1 Q99808 2/20 0.52
DPP4 P27487 1/20 0.48
MEN1 O00255 1/20 0.48
MAP3K7 O43318 1/20 0.48
SLC28A2 O43868 1/20 0.48
GAPDH P04406 1/20 0.48
MAPK1 P28482 1/20 0.48
STAT6 P42226 1/20 0.48
PI4KA P42356 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
DOT1L Q8TEK3 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
SLC28A3 Q9HAS3 1/20 0.48

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 SCHEMBL472736 0.92 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2BSLC28A1
Acetone SCHEMBL472485 0.80 ADORA1 (0.45) ADORA1ADORA3ADORA2AADORA2BSLC28A1
Acetone SCHEMBL472483 0.75 AHCY (0.38) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL3039002 0.75 DOT1L (0.61) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL472582 0.75 ADORA3 (0.47) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL3276677 0.75 ADORA3 (0.47) ADORA1ADORA3ADORA2AADORA2BSLC28A1
Tecadenoson SCHEMBL472467 0.75 ADORA1 (0.91) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL506314 0.74 DOT1L (0.81) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL506313 0.74 DOT1L (0.81) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL4950630 0.74 DOT1L (0.62) ADORA1ADORA3ADORA2AADORA2BSLC28A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412716-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2012-02-01 EP disclosed
US-7696181-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2010-04-13 US disclosed
US-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS IBRAHIM PRABHA 2009-12-31 US disclosed
US-20060287275-A1 Partial and full agonists of A1 adenosine receptors IBRAHIM PRABHA 2006-12-21 US disclosed
US-7144871-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2006-12-05 US disclosed
EP-1476455-A1 PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2004-11-17 EP disclosed
US-20030232783-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2003-12-18 US disclosed
WO-2003070739-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2003-08-28 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 (3 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-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885ADORA2A 2/4885
US-20060287275-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885ADORA2A 2/4885
US-20030232783-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885ADORA2A 2/4885

“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.