Acetone

Acetone

SCHEMBL1843282

CC(=O)CC(Cl)Cl.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 3/20 0.38
TRPA1 O75762 1/20 0.35
SLC15A2 Q16348 1/20 0.30
CA4 P22748 1/20 0.30

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 SCHEMBL1405517 1.00 ALDH1A1 (0.50) ALDH1A1TDP1LMNATRPA1SLC15A2
SCHEMBL100425 0.97
Water SCHEMBL6432972 0.94 ALDH1A1 (0.50) ALDH1A1TDP1LMNATRPA1SLC15A2
Methyl Alcohol SCHEMBL6420552 0.94
Methylene Chloride SCHEMBL7695098 0.91 ALDH1A1 (0.48) ALDH1A1TDP1TRPA1
Methylene Chloride SCHEMBL4304807 0.91 ALDH1A1 (0.48) ALDH1A1TDP1TRPA1
Methylene Chloride SCHEMBL3630221 0.91 ALDH1A1 (0.48) ALDH1A1TDP1TRPA1
Methylene Chloride SCHEMBL1395290 0.91 ALDH1A1 (0.48) ALDH1A1TDP1TRPA1
Methylene Chloride SCHEMBL861591 0.91 ALDH1A1 (0.48) ALDH1A1TDP1TRPA1
Methylene Chloride SCHEMBL5133360 0.91 ALDH1A1 (0.48) ALDH1A1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130376-A1 NEW NO RELEASING STEROIDS DERIVATIVES NICOX S.A. (FR) 2011-06-02 US disclosed
EP-2321334-A1 NEW NO RELEASING STEROIDS DERIVATIVES Nicox S.A. (FR) 2011-05-18 EP disclosed
WO-2010015529-A1 NEW NO RELEASING STEROIDS DERIVATIVES NICOX S.A. (FR) 2010-02-11 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-20110130376-A1 NEW NO RELEASING STEROIDS DERIVATIVES CYP11B2, CYP11B1, NR3C2 ALDH1A1 1473/4885TDP1 3310/4885LMNA 3571/4885

“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.