SCHEMBL2999795

SCHEMBL2999795

C/C=C\C=C\C=C\C(O)CCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
GAPDH P04406 2/20 0.44
TRPA1 O75762 1/20 0.44
DDAH1 O94760 1/20 0.44
MAPT P10636 1/20 0.44
FPR2 P25090 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CMKLR1 Q99788 1/20 0.38
PPARG P37231 2/20 0.37
GPR132 Q9UNW8 1/20 0.37

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
SCHEMBL2999801 1.00 ACHE (0.44) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL3002734 1.00 ACHE (0.44) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL15550958 0.98 ACHE (0.46) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL15550959 0.98 ACHE (0.46) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL26404500 0.91 GAPDH (0.50) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL26404472 0.91 GAPDH (0.50) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL26404475 0.91 GAPDH (0.50) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL5682455 0.84 ACHE (0.61) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL5682439 0.84 ACHE (0.61) ACHEBACE1GAPDHTRPA1DDAH1
SCHEMBL26404469 0.82 ACHE (0.44) ACHEBACE1GAPDHTRPA1DDAH1

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-20100191019-A1 Organic Compounds GIVAUDAN SA (CH) 2010-07-29 US claimed
EP-2178399-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-04-28 EP claimed
WO-2009009916-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-01-22 WO claimed
US-20100191019-A1 Organic Compounds GIVAUDAN SA (CH) 2010-07-29 US disclosed
EP-2178399-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-04-28 EP disclosed
WO-2009009916-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-01-22 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-20100191019-A1 Organic Compounds OR10J3, ALOX5, OR51E2 ACHE 1000/4885BACE1 3111/4885GAPDH 468/4885

“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.