Acetone

Acetone

SCHEMBL7082289

CC(C)=O.CCCCNC

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.57
ALOX15 P16050 1/20 0.46
ACHE P22303 6/20 0.43
MMP2 P08253 1/20 0.43
KISS1R Q969F8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
S1PR2 O95136 2/20 0.40
S1PR4 O95977 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH7 P40394 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
Acetic Acid SCHEMBL9498328 0.92 EPHX1 (0.55) EPHX1ALOX15ACHEMMP2KISS1R
Urea SCHEMBL8903533 0.86 EPHX1 (0.55) EPHX1ALOX15ACHEMMP2ALDH1A1
Oxalic Acid SCHEMBL28276534 0.86 ALOX15 (0.62) EPHX1ALOX15ACHEMMP2ALDH1A1
SCHEMBL2600 0.85
Carbamic Acid SCHEMBL28983310 0.84 ALOX15 (0.54) EPHX1ALOX15ACHEMMP2ALDH1A1
Acetone SCHEMBL7081095 0.82
Alcohol SCHEMBL9949393 0.82
Acetic Acid SCHEMBL5568053 0.82 EPHX1 (0.71) EPHX1ALOX15ALDH1A1S1PR2S1PR4
Acetic Acid SCHEMBL21409815 0.82 EPHX1 (0.71) EPHX1ALOX15ALDH1A1S1PR2S1PR4
Acetic Acid SCHEMBL5575013 0.82 EPHX1 (0.71) EPHX1ALOX15ALDH1A1S1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030118520-A1 Cleaning composition for dental prostheses CLARIANT GMBH (DE) 2003-06-26 US disclosed
US-20020122775-A1 Cleaning compostion for dental prostheses CLARIANT GMBH 2002-09-05 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 (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-20030118520-A1 Cleaning composition for dental prostheses NOXO1, AOX1, AOC1 EPHX1 298/4885ALOX15 2248/4885ACHE 1458/4885
US-20020122775-A1 Cleaning compostion for dental prostheses NOXO1, AOX1, AOC1 EPHX1 479/4885ALOX15 2853/4885ACHE 1488/4885

“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.