Butanedione

Butanedione

SCHEMBL4879228

CC(=O)C(C)=O.O=[PH](O)O

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
THPO P40225 1/20 0.64
LMNA P02545 2/20 0.42
CA4 P22748 2/20 0.40
FFAR3 O14843 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CA1 P00915 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
ALOX15 P16050 1/20 0.36
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 4/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 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
Butanedione SCHEMBL4889052 0.96 TSHR (0.58) TSHRTHPOLMNACA4FFAR3
Acetic Acid SCHEMBL29020590 0.82 FFAR3 (0.64) TSHRTHPOLMNACA4FFAR3
Acetic Acid SCHEMBL9050998 0.82 FFAR3 (0.64) TSHRTHPOLMNACA4FFAR3
Acetic Acid SCHEMBL5102108 0.82
Acetic Acid SCHEMBL31494927 0.82 FFAR3 (0.64) TSHRTHPOLMNACA4FFAR3
Butanedione SCHEMBL3273053 0.80
Butanedione SCHEMBL20472 0.80
Butanedione SCHEMBL1867426 0.80 TSHR (1.00) TSHRTHPOLMNACA4FFAR3
Acetamide SCHEMBL162386 0.78
Acetic Acid SCHEMBL28020370 0.78 FFAR3 (0.58) TSHRTHPOLMNAFFAR3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355855-A4 PROCESSES FOR TREATING CORAL AND COATING AN OBJECT NANOCOATINGS PTY LTD (AU) 2005-12-14 EP claimed
US-20040091547-A1 Processes for treating coral and coating an object BIOTOMO PTY. LTD. (AU) 2004-05-13 US claimed
EP-1355855-A1 PROCESSES FOR TREATING CORAL AND COATING AN OBJECT University of Technology, Sydney (AU) 2003-10-29 EP claimed
WO-2002040398-A1 PROCESSES FOR TREATING CORAL AND COATING AN OBJECT UNIVERSITY OF TECHNOLOGY, SYDNEY (AU) 2002-05-23 WO claimed
US-20080063683-A1 Processes for treating coral and coating an object NANOCOATINGS PTY. LTD. (AU) 2008-03-13 US disclosed
US-7258898-B2 Processes for treating coral and coating an object NANOCOATINGS PTY, LTD. (AU) 2007-08-21 US disclosed
EP-1355855-A4 PROCESSES FOR TREATING CORAL AND COATING AN OBJECT NANOCOATINGS PTY LTD (AU) 2005-12-14 EP disclosed
US-20040091547-A1 Processes for treating coral and coating an object BIOTOMO PTY. LTD. (AU) 2004-05-13 US disclosed
EP-1355855-A1 PROCESSES FOR TREATING CORAL AND COATING AN OBJECT University of Technology, Sydney (AU) 2003-10-29 EP disclosed
WO-2002040398-A1 PROCESSES FOR TREATING CORAL AND COATING AN OBJECT UNIVERSITY OF TECHNOLOGY, SYDNEY (AU) 2002-05-23 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 (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-20080063683-A1 Processes for treating coral and coating an object CA2, CA4, CA6 TSHR 4240/4885THPO 1171/4885LMNA 4076/4885
US-20040091547-A1 Processes for treating coral and coating an object CA2, CA4, CA6 TSHR 4215/4885THPO 1159/4885LMNA 4041/4885

“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.