SCHEMBL16620547

SCHEMBL16620547

O=C(O)CCCCCCCC(=O)N1CCCC1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.60
▸ REN P00797 2/20 0.55
▸ MVD P53602 2/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46

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
SCHEMBL11559923 0.95 ACE (0.62) ACERENMVD
SCHEMBL6783030 0.95 ACE (0.66) ACERENMVDCHRM2CHRM4
SCHEMBL6784027 0.95 ACE (0.66) ACERENMVDCHRM2CHRM4
SCHEMBL6784032 0.95 ACE (0.66) ACERENMVDCHRM2CHRM4
SCHEMBL6789464 0.95 ACE (0.66) ACERENMVDCHRM2CHRM4
SCHEMBL7298458 0.95 ACE (0.66) ACERENMVDCHRM2CHRM4
SCHEMBL6783037 0.95 ACE (0.66) ACERENMVDCHRM2CHRM4
SCHEMBL6789458 0.95 ACE (0.66) ACERENMVDCHRM2CHRM4
SCHEMBL6789294 0.95 ACE (0.66) ACERENMVDCHRM2CHRM4
Miridesap SCHEMBL6788714 0.93 ACE (0.68) ACERENMVDCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057446-B1 ORGANIC COMPOUNDS HAVING TASTE-MODIFYING PROPERTIES GIVAUDAN SA (CH) 2017-12-06 — — EP claimed
US-20160278408-A1 Organic Compounds GIVAUDAN S.A. (CH) 2016-09-29 — — US claimed
EP-3057446-A1 ORGANIC COMPOUNDS Givaudan S.A. (CH) 2016-08-24 — — EP claimed
WO-2015050537-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2015-04-09 — — WO claimed
EP-3057446-B1 ORGANIC COMPOUNDS HAVING TASTE-MODIFYING PROPERTIES GIVAUDAN SA (CH) 2017-12-06 — — EP disclosed
US-20160278408-A1 Organic Compounds GIVAUDAN S.A. (CH) 2016-09-29 — — US disclosed
EP-3057446-A1 ORGANIC COMPOUNDS Givaudan S.A. (CH) 2016-08-24 — — EP disclosed
WO-2015050537-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2015-04-09 — — 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-20160278408-A1 Organic Compounds CYC1, AOX1, OR10J3 ACE 1913/4885REN 290/4885MVD 4385/4885

“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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