Acetoacetic Acid

Acetoacetic Acid

SCHEMBL2005043

CC(=O)CC(=O)O.CCC(O)CO

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
OR51E2 Q9H255 1/20 0.32
SLC15A2 Q16348 1/20 0.32
FFAR3 O14843 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GPR84 Q9NQS5 4/20 0.31
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
Acetoacetic Acid SCHEMBL29155554 0.89 LMNA (0.45) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL648595 0.89 LMNA (0.45) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL491497 0.89 LMNA (0.45) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL491475 0.89 LMNA (0.45) KDM4EKDM6BKDM5CEGLN1PHF8
Acetic Acid SCHEMBL2958344 0.84 LMNA (0.42) KDM4ELMNAALDH1A1SLC22A6OR51E2
Acetoacetic Acid SCHEMBL28703372 0.83 PLA2G2C (0.38) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL3627073 0.81 KDM4E (0.42) KDM4EKDM6BKDM5CEGLN1PHF8
Acetoacetic Acid SCHEMBL3909150 0.81 KDM4E (0.42) KDM4EKDM6BKDM5CEGLN1PHF8
Bicarbonate SCHEMBL1525700 0.81 LMNA (0.44) KDM4ELMNAALDH1A1SLC22A6OR51E2
Acetoacetic Acid SCHEMBL27153879 0.81 THRB (0.54) KDM4EKDM6BKDM5CEGLN1PHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163099-A1 ANTIMICROBIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-06-12 US disclosed
EP-2725900-A1 ANTIMICROBIAL COMPOSITION Takasago International Corporation (JP) 2014-05-07 EP disclosed
WO-2013002421-A1 ANTIMICROBIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-01-03 WO disclosed
US-20130005807-A1 ANTIMICROBIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-01-03 US disclosed
US-7964637-B2 Process for producing optically active theaspirane TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-06-21 US disclosed
US-20090270516-A1 Process for Producing Optically Active Theaspirane TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-29 US 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-20090270516-A1 Process for Producing Optically Active Theaspirane DHPS, ALDH7A1, FASN KDM4E 2247/4885KDM6B 2097/4885KDM5C 1329/4885

“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.