Acetone

Acetone

SCHEMBL20186006

CC(C)=O.Cc1cc2cc-2c1C

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PTGS1 P23219 1/20 0.35
HSD17B1 P14061 1/20 0.33
GAA P10253 1/20 0.32
CYP3A4 P08684 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK14 Q16539 1/20 0.31
MCL1 Q07820 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
Acetic Acid SCHEMBL17964267 0.93 PTGS1 (0.38) CA1CA2PTGS1HSD17B1GAA
Methyl Alcohol SCHEMBL27301818 0.87 CA1 (0.41) CA1CA2PTGS1GAACYP3A4
SCHEMBL7196734 0.87 ALDH1A1 (0.35) CA1CA2PTGS1GAACYP3A4
SCHEMBL9905202 0.84 PTGS1 (0.36) CA1CA2PTGS1ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL5027721 0.84
Phosphine SCHEMBL7200715 0.84
SCHEMBL6139750 0.82 CA1 (0.38) CA1CA2GAACYP3A4ALDH1A1
Acetaldehyde SCHEMBL6632642 0.80 TSHR (0.31) CA1CA2CYP3A4ALDH1A1TP53
SCHEMBL6853752 0.78
Acetonitrile SCHEMBL8083265 0.75 ALDH1A1 (0.31) CA1CA2CYP3A4ALDH1A1TP53

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-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof APALENE TECHNOLOGY CO., LTD. (HANGZHOU) (CN) 2019-10-15 US disclosed
US-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF APALENE TECHNOLOGY CO., LTD. (JIAXING) (CN) 2018-05-31 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-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF UBE2L3, RNF168, AGL CA1 2739/4885CA2 2863/4885PTGS1 2812/4885
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof UBE2L3, COG8, ACSL3 CA1 2689/4885CA2 2807/4885PTGS1 2614/4885

“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.