SCHEMBL2324001

SCHEMBL2324001

CCOC(=O)C(=O)NCC=C(C)CCC=C(C)C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.56
▸ FNTA P49354 6/20 0.50
▸ FNTB P49356 4/20 0.50
▸ PGGT1B P53609 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TRPV1 Q8NER1 5/20 0.47

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
SCHEMBL2323997 1.00 TRPA1 (0.56) TRPA1FNTAFNTBPGGT1BALDH1A1
SCHEMBL12164424 0.86 TRPA1 (0.56) TRPA1FNTAFNTBPGGT1BALDH1A1
SCHEMBL12164479 0.86 TRPA1 (0.56) TRPA1FNTAFNTBPGGT1BALDH1A1
SCHEMBL2958596 0.86 TRPA1 (0.56) TRPA1FNTAFNTBPGGT1BALDH1A1
SCHEMBL12393840 0.84 TRPA1 (0.55) TRPA1FNTAFNTBPGGT1BALDH1A1
SCHEMBL12393785 0.84 TRPA1 (0.55) TRPA1FNTAFNTBPGGT1BALDH1A1
SCHEMBL2568553 0.84 TRPA1 (0.65) TRPA1FNTAFNTBPGGT1BALOX15
SCHEMBL2571319 0.84 TRPA1 (0.65) TRPA1FNTAFNTBPGGT1BALOX15
SCHEMBL2568549 0.84 TRPA1 (0.65) TRPA1FNTAFNTBPGGT1BALOX15
SCHEMBL12164450 0.81 TRPA1 (0.58) TRPA1FNTAFNTBPGGT1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531489-B1 OXALAMIDE DERIVATIVE AS UMAMI FLAVOURING AGENT GIVAUDAN SA (CH) 2014-11-19 — — EP disclosed
US-8470384-B2 Oxalamide derivative as umami flavouring agent GIVAUDAN S.A. (CH) 2013-06-25 — — US disclosed
EP-2531489-A1 OXALAMIDE DERIVATIVE AS UMAMI FLAVOURING AGENT Givaudan SA (CH) 2012-12-12 — — EP disclosed
US-20120301587-A1 Oxalamide Derivative As Umami Flavouring Agent GIVAUDAN SA (CH) 2012-11-29 — — US disclosed
US-8273398-B2 Geranylamine derivates of oxalic acid SYMRISE AG (DE) 2012-09-25 — — US disclosed
WO-2011095533-A1 OXALAMIDE DERIVATIVE AS UMAMI FLAVOURING AGENT GIVAUDAN SA (CH) 2011-08-11 — — WO disclosed
US-20100080880-A1 GERANYLAMINE DERIVATES OF OXALIC ACID SYMRISE GMBH & CO. KG (DE) 2010-04-01 — — 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 (2 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-20120301587-A1 Oxalamide Derivative As Umami Flavouring Agent TAS1R1, TAS2R1, TAS1R2 TRPA1 853/4885FNTA 1841/4885FNTB 1005/4885
US-20100080880-A1 GERANYLAMINE DERIVATES OF OXALIC ACID OTC, OAT, ODC1 TRPA1 863/4885FNTA 52/4885FNTB 754/4885

“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.

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