SCHEMBL16620751

SCHEMBL16620751

CCCCCCC=CCCCC(=O)NC(C)(C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.61
TOP1 P11387 3/20 0.56
MAPT P10636 3/20 0.54
BLM P54132 3/20 0.54
HSD17B10 Q99714 3/20 0.54
FAAH O00519 2/20 0.54
USP2 O75604 2/20 0.54
POLB P06746 2/20 0.54
ALOX15 P16050 2/20 0.54
APEX1 P27695 2/20 0.54
RECQL P46063 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
PMP22 Q01453 1/20 0.54
GPR18 Q14330 1/20 0.54

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
SCHEMBL16620762 1.00 HRH3 (0.61) HRH3TOP1MAPTBLMHSD17B10
SCHEMBL16620111 0.97 HRH3 (0.66) HRH3TOP1MAPTBLMHSD17B10
SCHEMBL16620112 0.97 HRH3 (0.66) HRH3TOP1MAPTBLMHSD17B10
SCHEMBL3233808 0.94 MEN1 (0.62) MAPTBLMHSD17B10FAAHUSP2
SCHEMBL3233804 0.94 MEN1 (0.62) MAPTBLMHSD17B10FAAHUSP2
SCHEMBL16626967 0.93 MEN1 (0.63) HRH3MAPTBLMHSD17B10ALOX15
SCHEMBL16620081 0.87 HSP90AA1 (0.53) HRH3HSD17B10FAAHALOX15KMT2A
SCHEMBL8513443 0.87 HSP90AA1 (0.53) HRH3HSD17B10FAAHALOX15KMT2A
SCHEMBL3230247 0.87 HSP90AA1 (0.53) HRH3HSD17B10FAAHALOX15KMT2A
SCHEMBL8511093 0.85 HSP90AA1 (0.52) HRH3HSD17B10FAAHALOX15KMT2A

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 1286/4885TOP1 4704/4885MAPT 3002/4885
US-11122826-B2 Organic compounds TAS2R1, TAS2R5, TAS2R10 HRH3 1434/4885TOP1 4656/4885MAPT 1688/4885
US-20160213038-A1 Improvements in or Relating to Organic Compounds TAS2R38, TAS2R1, TAS2R5 HRH3 1604/4885TOP1 4647/4885MAPT 1708/4885

“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.