Butanone

Butanone

SCHEMBL3917045

CC(=O)C=C(C)C.CCC(C)=O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TDP1 Q9NUW8 2/20 0.59
FFAR3 O14843 1/20 0.35
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ATM Q13315 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
SCHEMBL1422350 0.84 ALDH1A1 (0.44) ALDH1A1TDP1FFAR3TSHRKDM4E
SCHEMBL36528 0.84
SCHEMBL11357472 0.82 ALDH1A1 (0.35) ALDH1A1TDP1TRPA1KDM4EATM
SCHEMBL11450692 0.82 ALDH1A1 (0.35) ALDH1A1TDP1TRPA1KDM4EATM
SCHEMBL9577628 0.82 GAA (0.39) ALDH1A1TDP1TRPA1TSHRKDM4E
SCHEMBL10395982 0.81 ALDH1A1 (0.43) ALDH1A1TDP1FFAR3TSHRKDM4E
SCHEMBL10400342 0.81
SCHEMBL28488745 0.81
Acetone SCHEMBL9445711 0.81 LMNA (0.46) ALDH1A1FFAR3TSHR
Methane SCHEMBL28300736 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553477-A Process for preparation of aldonic acids and derivatives thereof CB FLEET CO INC (US) 2009-10-07 CN disclosed
EP-2089372-A2 PROCESS FOR PREPARATION OF ALDONIC ACIDS AND DERIVATIVES THEREOF C.B. Fleet Company Incorporated (US) 2009-08-19 EP disclosed
US-20090112002-A1 PROCESS FOR PREPARATION OF ALDONIC ACIDS AND DERIVATIVES THEREOF APTALIS PHARMA CANADA INC. (CA) 2009-04-30 US disclosed
WO-2008053206-A2 PROCESS FOR PREPARATION OF ALDONIC ACIDS AND DERIVATIVES THEREOF C.B. FLEET COMPANY, INC. (US) 2008-05-08 WO 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-20090112002-A1 PROCESS FOR PREPARATION OF ALDONIC ACIDS AND DERIVATIVES THEREOF ALDOA, ALG1, DERA ALDH1A1 216/4885TDP1 4458/4885FFAR3 2708/4885

“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.