SCHEMBL13990786

SCHEMBL13990786

CC(=O)C(=CC(C)C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 2/20 0.35
THPO P40225 1/20 0.35
GRIK1 P39086 2/20 0.32
GRIA2 P42262 2/20 0.32
GRIA4 P48058 2/20 0.32
GRIK3 Q13003 2/20 0.32
GRIK5 Q16478 2/20 0.32
GRIA1 P42261 1/20 0.32
GRIK2 Q13002 1/20 0.32
GLO1 Q04760 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
CA4 P22748 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
SCHEMBL13256939 0.86 GRIK1 (0.38) ALDH1A1KDM4ETSHRTHPOGRIK1
SCHEMBL27520422 0.86 GRIK1 (0.38) ALDH1A1KDM4ETSHRTHPOGRIK1
SCHEMBL5798787 0.80 ALDH1A1 (0.37) ALDH1A1GLO1
SCHEMBL5798789 0.80 ALDH1A1 (0.37) ALDH1A1GLO1
SCHEMBL10743738 0.75 GLO1 (0.64) ALDH1A1KDM4EGLO1
SCHEMBL4681859 0.75 GRIK1 (0.46) ALDH1A1GRIK1GRIA2GRIA4GRIK3
SCHEMBL12368604 0.75
SCHEMBL5074746 0.75
SCHEMBL1323858 0.75 GRIK1 (0.41) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL5074744 0.75

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-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour GIVAUDAN SA (CH) 2008-12-11 US disclosed
US-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour GIVAUDAN SA (CH) 2008-12-11 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-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour TYR, MAL2, ACMSD ALDH1A1 152/4885KDM4E 1182/4885TSHR 3589/4885

“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.