Acetone

Acetone

SCHEMBL472736

CC(C)=O.OCC1OC(n2cnc3c(C4CCOC4)ncnc32)C(O)C1O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.62
ADORA3 P0DMS8 4/20 0.62
ADORA2A P29274 4/20 0.62
ADORA2B P29275 3/20 0.62
SLC29A1 Q99808 3/20 0.62
SLC28A1 O00337 2/20 0.62
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
DPP4 P27487 1/20 0.56
MAP3K7 O43318 1/20 0.56
SLC28A2 O43868 1/20 0.56
GAPDH P04406 1/20 0.56
MAPK1 P28482 1/20 0.56
STAT6 P42226 1/20 0.56
PI4KA P42356 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
DOT1L Q8TEK3 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56
SLC28A3 Q9HAS3 1/20 0.56

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 SCHEMBL472703 0.92 ADORA1 (0.52) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Tecadenoson SCHEMBL472467 0.83 ADORA1 (0.91) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Acetone SCHEMBL472485 0.81 ADORA1 (0.45) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Adenosine SCHEMBL4138547 0.79 ADORA3 (0.89) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Acetone SCHEMBL5504139 0.79 SLC29A1 (0.66) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Tecadenoson SCHEMBL24838611 0.77 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Tecadenoson SCHEMBL6226634 0.77 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Tecadenoson SCHEMBL472549 0.77 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Tecadenoson SCHEMBL22349437 0.77 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Tecadenoson SCHEMBL246787 0.77 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BSLC29A1

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.