SCHEMBL2998074

SCHEMBL2998074

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.55
KDM4E B2RXH2 1/20 0.47
OXER1 Q8TDS5 7/20 0.44
ALOX12 P18054 2/20 0.44
ALOX5 P09917 1/20 0.41
POLB P06746 1/20 0.41
POLA1 P09884 1/20 0.41
CES1 P23141 2/20 0.40
IAPP P10997 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CES2 O00748 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL3004067 1.00 TRPA1 (0.55) TRPA1KDM4EOXER1ALOX12ALOX5
SCHEMBL2998071 1.00 TRPA1 (0.55) TRPA1KDM4EOXER1ALOX12ALOX5
SCHEMBL30924783 0.94 TRPA1 (0.63) TRPA1KDM4EOXER1ALOX12ALOX5
SCHEMBL27856220 0.92 TRPA1 (0.61) TRPA1KDM4EOXER1ALOX12ALOX5
SCHEMBL30924788 0.92 TRPA1 (0.61) TRPA1KDM4EOXER1ALOX12ALOX5
SCHEMBL8444906 0.92 TRPA1 (0.59) TRPA1KDM4EOXER1ALOX12ALOX5
SCHEMBL8444903 0.92 TRPA1 (0.59) TRPA1KDM4EOXER1ALOX12ALOX5
SCHEMBL18142129 0.88 TRPA1 (0.44) TRPA1KDM4EOXER1ALOX12ALOX5
SCHEMBL13180040 0.88 TRPA1 (0.44) TRPA1KDM4EOXER1ALOX12ALOX5
SCHEMBL3397099 0.88 TRPA1 (0.44) TRPA1KDM4EOXER1ALOX12ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TRPA1 6/4885KDM4E 4306/4885OXER1 122/4885

“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.