SCHEMBL2416574

SCHEMBL2416574

CC=CC(O)CCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.59
DDAH1 O94760 1/20 0.59
GAPDH P04406 1/20 0.59
MAPT P10636 1/20 0.59
PPARG P37231 2/20 0.47
GPR132 Q9UNW8 1/20 0.47
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
FFAR1 O14842 1/20 0.44
FPR2 P25090 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
GPR84 Q9NQS5 2/20 0.43
SPHK1 Q9NYA1 1/20 0.43

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
SCHEMBL10675596 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL31303623 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL12300775 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL8907239 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL2416572 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL11439694 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL11439697 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL10675600 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL12300774 1.00 TRPA1 (0.59) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL7451666 0.98 TRPA1 (0.61) TRPA1DDAH1GAPDHMAPTPPARG

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
CN-118146996-A Brevibacterium and application thereof in improving cigar tobacco flavor quality 中国烟草总公司海南省公司 2024-06-07 CN disclosed
US-8399399-B2 compared with their structural isomer 2-methyl-4-dodecanal, are characterized by an odor threshold concentration which is up to 64 times lower GIVAUDAN SA (CH) 2013-03-19 US disclosed
EP-1743880-B1 3- and 4-methyl-dodecenal and their use in fragrance or flavour compositions GIVAUDAN SA (CH) 2011-09-28 EP disclosed
US-20080248177-A1 3- and 4-Methyl Dodecenal and their Use in Fragrance and Flavour Compositions GIVAUDAN SA (CH) 2008-10-09 US disclosed
EP-1743880-A1 3- and 4-methyl-dodecenal and their use in fragrance or flavour compositions Givaudan S.A. (CH) 2007-01-17 EP disclosed
WO-2006133591-A1 3-AND 4-METHYL-DODECENAL AND THEIR USE IN FRAGRANCE OF FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2006-12-21 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-20080248177-A1 3- and 4-Methyl Dodecenal and their Use in Fragrance and Flavour Compositions COXFA4, FADS2, DHCR24 TRPA1 103/4885DDAH1 723/4885GAPDH 1051/4885

“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.