SCHEMBL16626967

SCHEMBL16626967

CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)(C)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HRH3 Q9Y5N1 1/20 0.61
ALDH1A1 P00352 6/20 0.60
F7 P08709 3/20 0.60
F3 P13726 3/20 0.60
HPGD P15428 3/20 0.60
PPARG P37231 2/20 0.60
PPARD Q03181 2/20 0.60
PPARA Q07869 2/20 0.60
KDM4E B2RXH2 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
FFAR1 O14842 2/20 0.60
DUSP3 P51452 1/20 0.60
PTPN7 P35236 1/20 0.60
LMNA P02545 1/20 0.60
FABP3 P05413 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP19A1 P11511 1/20 0.60
FABP4 P15090 1/20 0.60

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
SCHEMBL3233808 0.96 MEN1 (0.62) MEN1KMT2AALDH1A1HPGDPPARG
SCHEMBL3233804 0.96 MEN1 (0.62) MEN1KMT2AALDH1A1HPGDPPARG
SCHEMBL16620112 0.96 HRH3 (0.66) MEN1KMT2AHRH3F7F3
SCHEMBL16620111 0.96 HRH3 (0.66) MEN1KMT2AHRH3F7F3
SCHEMBL16620762 0.93 HRH3 (0.61) MEN1KMT2AHRH3ALDH1A1F7
SCHEMBL16620751 0.93 HRH3 (0.61) MEN1KMT2AHRH3ALDH1A1F7
SCHEMBL22461508 0.87 HRH3 (0.66) MEN1KMT2AHRH3ALDH1A1F7
SCHEMBL16620081 0.86 HSP90AA1 (0.53) MEN1KMT2AHRH3ALDH1A1PPARG
SCHEMBL8513443 0.86 HSP90AA1 (0.53) MEN1KMT2AHRH3ALDH1A1PPARG
SCHEMBL3230247 0.86 HSP90AA1 (0.53) MEN1KMT2AHRH3ALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11122826-B2 Organic compounds GIVAUDAN SA (CH) 2021-09-21 US disclosed
US-10660355-B2 2020-05-26 US disclosed
US-20160213038-A1 Improvements in or Relating to Organic Compounds GIVAUDAN S.A. (CH) 2016-07-28 US 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 MEN1 1043/4885KMT2A 2375/4885HRH3 1286/4885
US-11122826-B2 Organic compounds TAS2R1, TAS2R5, TAS2R10 MEN1 1000/4885KMT2A 2493/4885HRH3 1434/4885
US-20160213038-A1 Improvements in or Relating to Organic Compounds TAS2R38, TAS2R1, TAS2R5 MEN1 755/4885KMT2A 3319/4885HRH3 1604/4885

“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.