SCHEMBL16669296

SCHEMBL16669296

CCCCCC(=O)NC(C)(C)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HSP90AA1 P07900 1/20 0.54
FAAH O00519 7/20 0.52
HRH3 Q9Y5N1 1/20 0.50
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
AKR1B1 P15121 1/20 0.44
TSHR P16473 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
DNM1 Q05193 1/20 0.43

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
SCHEMBL10456338 0.98 HSP90AA1 (0.57) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL7637809 0.98 HSP90AA1 (0.57) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL4627638 0.98 HSP90AA1 (0.57) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL4627014 0.98 HSP90AA1 (0.57) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL456198 0.98 HSP90AA1 (0.57) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL2380630 0.98 HSP90AA1 (0.57) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL21151833 0.98 HSP90AA1 (0.57) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL11963272 0.96 HSP90AA1 (0.55) ALDH1A1HSP90AA1FAAHHRH3MEN1
SCHEMBL3142547 0.88 HRH3 (0.69) FAAHHRH3MEN1KMT2A
SCHEMBL11344701 0.87 ALDH1A1 (0.59) ALDH1A1HSP90AA1FAAHHRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150118173-A1 FORMULATION COMPRISING CAPRYLIC ACID ETHANOLAMIDE AND/OR CAPRIC ACID ETHANOLAMIDE IN COMBINATION WITH AN ALUMINIUM SALT AND ITS USE EVONIK INDUSTRIES AG (DE) 2015-04-30 US 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-20150118173-A1 FORMULATION COMPRISING CAPRYLIC ACID ETHANOLAMIDE AND/OR CAPRIC ACID ETHANOLAMIDE IN COMBINATION WITH AN ALUMINIUM SALT AND ITS USE CAPRIN1, ADH1A, ETV6 ALDH1A1 789/4885HSP90AA1 208/4885FAAH 252/4885

“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.