SCHEMBL5163845

SCHEMBL5163845

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 1/20 0.31
GRIK1 P39086 2/20 0.31
GRIA2 P42262 2/20 0.31
GRIA4 P48058 2/20 0.31
GRIK3 Q13003 2/20 0.31
GRIK5 Q16478 2/20 0.31
GRIA1 P42261 1/20 0.31
GRIK2 Q13002 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
SCHEMBL14424539 1.00 ALDH1A1 (0.33) ALDH1A1TDP1CA2GRIK1GRIA2
SCHEMBL5163841 1.00 ALDH1A1 (0.33) ALDH1A1TDP1CA2GRIK1GRIA2
SCHEMBL26977118 0.77 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL19946353 0.69
SCHEMBL3466462 0.69
SCHEMBL26977352 0.68 ALDH1A1 (0.33) ALDH1A1TDP1CA2
SCHEMBL5163858 0.65 ALDH1A1 (0.39) ALDH1A1TDP1CA2
SCHEMBL26977102 0.65 ALDH1A1 (0.36) ALDH1A1
SCHEMBL28571483 0.63 ALDH1A1 (0.40) ALDH1A1TDP1CA2
SCHEMBL12617100 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259135-B2 Use of hexenal derivatives as perfumes KAO CORPORATION (JP) 2007-08-21 US claimed
US-7259135-B2 Use of hexenal derivatives as perfumes KAO CORPORATION (JP) 2007-08-21 US disclosed
EP-1476527-B1 USE OF HEXENAL DERIVATIVES AS PERFUMES KAO CORP (JP) 2007-04-11 EP disclosed
US-20050130875-A1 Use of hexenal derivates as perfumes KAO CORPORATION (JP) 2005-06-16 US disclosed
EP-1476527-A1 USE OF HEXENAL DERIVATIVES AS PERFUMES Kao Corporation (JP) 2004-11-17 EP disclosed
WO-2003070864-A1 USE OF HEXENAL DERIVATIVES AS PERFUMES KAO CORPORATION (JP) 2003-08-28 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-20050130875-A1 Use of hexenal derivates as perfumes ADH1C, ADH5, ZDHHC2 ALDH1A1 113/4885TDP1 2815/4885CA2 2105/4885

“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.