Butanone

Butanone

SCHEMBL6320301

CCC(C)=O.COCCCOC(C)(C)C

nearest known ligand 0.40

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.33
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CES2 O00748 2/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30
RECQL P46063 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
SCHEMBL1106446 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8130829 0.78 ALDH1A1 (0.37) ALDH1A1
Butanone SCHEMBL8359739 0.76 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCES2
SCHEMBL12889782 0.75 ALDH1A1 (0.41) ALDH1A1
Butanone SCHEMBL28208826 0.75 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCES2
SCHEMBL16350179 0.74 ALDH1A1 (0.41) ALDH1A1CCNE2CCNE1CDK2CYP4F2
Butanone SCHEMBL6931341 0.74 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCES2RECQL
Acetic Acid Methyl Ester SCHEMBL23929295 0.73 ALDH1A1 (0.50) ALDH1A1TSHRCES2RECQL
Butanone SCHEMBL4247427 0.73 ALDH1A1 (0.59) ALDH1A1TDP1TSHR
SCHEMBL5520777 0.72 ALDH1A1 (0.54) ALDH1A1TSHRCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187407-A1 Methods of synthesizing and using derivatives of [2-(2-aminoethoxy)ethoxy] acetic acid SUNBEAM PRODUCTS, INC. 2005-08-25 US claimed

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-20050187407-A1 Methods of synthesizing and using derivatives of [2-(2-aminoethoxy)ethoxy] acetic acid ELL, APEH, HACL2 ALDH1A1 944/4885TDP1 3307/4885TSHR 3322/4885

“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.