Acetone

Acetone

SCHEMBL5981977

CC(C)=O.O=C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
CES2 O00748 3/20 0.39
CA2 P00918 1/20 0.35
NFKB1 P19838 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
FAAH O00519 8/20 0.32
CA1 P00915 1/20 0.31
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
CES1 P23141 5/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
Fluoromethane SCHEMBL27825764 0.88 CES2 (0.40) CES2CA2FAAHCES1MEN1
Methyl Alcohol SCHEMBL11878933 0.88 CES2 (0.40) CES2CA2FAAHCES1MEN1
SCHEMBL27892503 0.88 CA2 (0.41) CES2CA2FAAHCES1MEN1
SCHEMBL344 0.88 CA2 (0.41) CES2CA2FAAHCES1MEN1
SCHEMBL2257579 0.86 CES2 (0.36) LMNACES2CA2NFKB1HSD17B10
SCHEMBL9473581 0.84 CA2 (0.39) CES2CA2CES1MEN1KMT2A
Fluoride SCHEMBL1594462 0.84 CA2 (0.39) CES2CA2CES1MEN1KMT2A
SCHEMBL11799381 0.84 CA2 (0.39) CES2CA2CES1MEN1KMT2A
SCHEMBL15540711 0.84 CA2 (0.39) CES2CA2CES1MEN1KMT2A
SCHEMBL11800353 0.84 CA2 (0.39) CES2CA2CES1MEN1KMT2A

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-7115766-B2 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORP. (US) 2006-10-03 US disclosed
US-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-19 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-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds SNCA, PARK7, SAMHD1 LMNA 3586/4885CES2 535/4885CA2 4724/4885

“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.