SCHEMBL22925097

SCHEMBL22925097

CC(=O)NOC(C)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SLC7A5 Q01650 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
RNPEP Q9H4A4 3/20 0.34
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
KISS1R Q969F8 4/20 0.34
ANPEP P15144 5/20 0.33
LAP3 P28838 3/20 0.33
DNPEP Q9ULA0 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33

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
SCHEMBL26417082 0.82 ALDH1A1 (0.41) ALDH1A1SLC7A5TDP1RNPEPCACNA2D1
SCHEMBL9784727 0.81
SCHEMBL15296659 0.81
SCHEMBL19821897 0.81
SCHEMBL15296654 0.81
SCHEMBL23059624 0.79 RNPEP (0.38) ALDH1A1SLC7A5RNPEPCACNA2D1CACNB3
SCHEMBL1561818 0.74
SCHEMBL4923058 0.70 ALDH1A1 (0.41) ALDH1A1SLC7A5RNPEPANPEPLAP3
SCHEMBL878423 0.70
SCHEMBL27635490 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447452-B2 Agonists of peroxisome proliferator-activated receptor alpha and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2022-09-20 US disclosed
US-11337968-B2 Phenylquinoline compositions for treatment of ocular disorders and conditions THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2022-05-24 US disclosed
US-20210024469-A1 AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2021-01-28 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 (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-20210024469-A1 AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA AND METHODS OF USE PPARG, PPARA, PPARD ALDH1A1 845/4885SLC7A5 3653/4885TDP1 3044/4885
US-11337968-B2 Phenylquinoline compositions for treatment of ocular disorders and conditions PPARG, PPARA, PPARD ALDH1A1 1092/4885SLC7A5 3657/4885TDP1 2244/4885
US-11447452-B2 Agonists of peroxisome proliferator-activated receptor alpha and methods of use PPARG, PPARA, PPARD ALDH1A1 845/4885SLC7A5 3653/4885TDP1 3044/4885

“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.