Acetone

Acetone

SCHEMBL5494665

CC(C)=O.NNc1cccc(N2C(=O)CCC2=O)n1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 2/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32

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 SCHEMBL4249268 0.73 CA12 (0.36) RECQLCYP2C19ALDH1A1LMNAMAPT
Acetone SCHEMBL15539197 0.73 NNMT (0.33) RECQLCYP2C19RAB9AGLAKMT2A
Acetone SCHEMBL20164099 0.72 CA12 (0.35) RECQLCYP2C19ALDH1A1LMNAMAPT
SCHEMBL5667071 0.68 CA12 (0.38) RECQLCYP2C19ALDH1A1MAPTRAB9A
SCHEMBL15634880 0.68 NNMT (0.33) RECQLCYP2C19RAB9A
SCHEMBL11226245 0.67 KDM4E (0.51) ALDH1A1LMNAMAPTRAB9AL3MBTL1
Hydrochloric Acid SCHEMBL7268096 0.67 CA12 (0.37) CYP2C19ALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL24610121 0.65 KDM4E (0.44) ALDH1A1LMNARAB9ARXFP1KDM4E
Acetone SCHEMBL2190153 0.64 KDM4E (0.35) RECQLALDH1A1RAB9AKDM4EKMT2A
SCHEMBL28270307 0.64 MAPT (0.60) CYP2C19ALDH1A1LMNAMAPTL3MBTL1

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-7265213-B2 Methodology of conjugating chelators to biomolecules KPL, INC. (US) 2007-09-04 US disclosed
US-20070026535-A1 Novel methodology of conjugating chelators to biomolecules KPL, INC. (US) 2007-02-01 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-20070026535-A1 Novel methodology of conjugating chelators to biomolecules SLC40A1, SLC30A6, CACYBP RECQL 2574/4885CYP2C19 4531/4885ALDH1A1 3698/4885

“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.