SCHEMBL16620112

SCHEMBL16620112

CCCCCCCCC=CCCCCCCCC(=O)NC(C)(C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.66
TERT O14746 3/20 0.57
PTPN1 P18031 3/20 0.57
PPARG P37231 3/20 0.57
PPARD Q03181 3/20 0.57
PPARA Q07869 3/20 0.57
MAPT P10636 2/20 0.57
BLM P54132 2/20 0.57
HSD17B10 Q99714 2/20 0.57
FABP4 P15090 2/20 0.57
KMT2A Q03164 2/20 0.57
FAAH O00519 2/20 0.57
GMNN O75496 1/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
APEX1 P27695 1/20 0.57

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
SCHEMBL16620111 1.00 HRH3 (0.66) HRH3TERTPTPN1PPARGPPARD
SCHEMBL16620762 0.97 HRH3 (0.61) HRH3TERTPTPN1PPARGPPARD
SCHEMBL16620751 0.97 HRH3 (0.61) HRH3TERTPTPN1PPARGPPARD
SCHEMBL16626967 0.96 MEN1 (0.63) HRH3PPARGPPARDPPARAMAPT
SCHEMBL3233804 0.91 MEN1 (0.62) PPARGPPARDPPARAMAPTBLM
SCHEMBL3233808 0.91 MEN1 (0.62) PPARGPPARDPPARAMAPTBLM
SCHEMBL8513443 0.90 HSP90AA1 (0.53) HRH3PTPN1PPARGPPARDPPARA
SCHEMBL16620081 0.90 HSP90AA1 (0.53) HRH3PTPN1PPARGPPARDPPARA
SCHEMBL3230247 0.90 HSP90AA1 (0.53) HRH3PTPN1PPARGPPARDPPARA
SCHEMBL8511093 0.89 HSP90AA1 (0.52) HRH3PTPN1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11122826-B2 Organic compounds GIVAUDAN SA (CH) 2021-09-21 US claimed
US-10660355-B2 2020-05-26 US claimed
EP-3052472-A1 N-ACYLATED 2-AMINOISOBUTYRIC ACID COMPOUNDS AND FLAVOUR COMPOSITIONS CONTAINING THEM Givaudan S.A. (CH) 2016-08-10 EP claimed
US-20160213038-A1 Improvements in or Relating to Organic Compounds GIVAUDAN S.A. (CH) 2016-07-28 US claimed
WO-2015050536-A1 N-ACYLATED 2-AMINOISOBUTYRIC ACID COMPOUNDS AND FLAVOUR COMPOSITIONS CONTAINING THEM GIVAUDAN S.A. (CH) 2015-04-09 WO claimed
US-11122826-B2 Organic compounds GIVAUDAN SA (CH) 2021-09-21 US disclosed
US-10660355-B2 2020-05-26 US disclosed
EP-3052472-A1 N-ACYLATED 2-AMINOISOBUTYRIC ACID COMPOUNDS AND FLAVOUR COMPOSITIONS CONTAINING THEM Givaudan S.A. (CH) 2016-08-10 EP disclosed
US-20160213038-A1 Improvements in or Relating to Organic Compounds GIVAUDAN S.A. (CH) 2016-07-28 US disclosed
WO-2015050536-A1 N-ACYLATED 2-AMINOISOBUTYRIC ACID COMPOUNDS AND FLAVOUR COMPOSITIONS CONTAINING THEM 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 (3 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-10660355-B2 TAS2R5, TAS2R10, TAS2R1 HRH3 1286/4885TERT 1502/4885PTPN1 4355/4885
US-11122826-B2 Organic compounds TAS2R1, TAS2R5, TAS2R10 HRH3 1434/4885TERT 1422/4885PTPN1 4470/4885
US-20160213038-A1 Improvements in or Relating to Organic Compounds TAS2R38, TAS2R1, TAS2R5 HRH3 1604/4885TERT 1559/4885PTPN1 4862/4885

“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.