SCHEMBL16620817

SCHEMBL16620817

COC(=O)CCCCCCCC(=O)NCCCC(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.61
TSHR P16473 4/20 0.57
FAAH O00519 3/20 0.52
EPHX2 P34913 6/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
DNM1 Q05193 1/20 0.49
GAA P10253 1/20 0.48
CASP2 P42575 1/20 0.48
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13376980 0.96 RECQL (0.61) RECQLTSHRFAAHEPHX2ALDH1A1
SCHEMBL2771342 0.94 RECQL (0.63) RECQLTSHRFAAHEPHX2ALDH1A1
SCHEMBL28279287 0.93 FAAH (0.64) RECQLFAAHEPHX2DNM1CASP2
SCHEMBL28920863 0.93 FAAH (0.56) RECQLTSHRFAAHEPHX2ALDH1A1
SCHEMBL28576359 0.93 FAAH (0.64) RECQLFAAHEPHX2DNM1CASP2
SCHEMBL28572453 0.93 FAAH (0.64) RECQLFAAHEPHX2DNM1CASP2
SCHEMBL13376978 0.91 RECQL (0.65) RECQLTSHRFAAHEPHX2ALDH1A1
SCHEMBL18724627 0.90 EPHX2 (0.62) RECQLTSHRFAAHEPHX2DNM1
SCHEMBL18782496 0.90 EPHX2 (0.62) RECQLTSHRFAAHEPHX2DNM1
SCHEMBL15399777 0.89 TSHR (0.65) RECQLTSHRFAAHEPHX2LMNA

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 4 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 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 RECQL 2381/4885TSHR 3642/4885FAAH 2810/4885

“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.