SCHEMBL12655751

SCHEMBL12655751

CC(C)C(C)(C)C(N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC7A5 Q01650 2/20 0.42
TP53 P04637 1/20 0.36
DPP4 P27487 1/20 0.36
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 1/20 0.33
GRIK1 P39086 1/20 0.32
ENPEP Q07075 2/20 0.32
GABRP O00591 4/20 0.32
GABRD O14764 4/20 0.32
GABRA1 P14867 4/20 0.32
GABRB1 P18505 4/20 0.32
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA5 P31644 4/20 0.32
GABRA3 P34903 4/20 0.32
GABRA2 P47869 4/20 0.32

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
SCHEMBL20751905 1.00 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL6672007 0.86 ALDH1A1 (0.62) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL3580171 0.82 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL13502386 0.82 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL4961818 0.82 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL12938000 0.79 ALDH1A1 (0.37) ALDH1A1MAPTPTGS1SLC7A5DPP4
SCHEMBL14702337 0.77 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1SLC7A5DPP4
SCHEMBL6263555 0.75 ALDH1A1 (0.62) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL7396758 0.75 ALDH1A1 (0.62) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL6433 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023284611-A1 ROS-RESPONSIVE CAPTOPRIL-CINNAMALDEHYDE PRODRUGS AND COMPOSITIONS AND METHODS THEREOF THE UNIVERSITY OF HONG KONG (CN) 2023-01-19 WO disclosed
US-20130096055-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2013-04-18 US disclosed
US-20130096055-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2013-04-18 US disclosed
US-20130040877-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2013-02-14 US disclosed
US-20130040877-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2013-02-14 US disclosed
WO-2011058165-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2011-05-19 WO disclosed
WO-2011033068-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2011-03-24 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 (2 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-20130096055-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NPY2R, NPY1R, NPY5R ALDH1A1 4710/4885MAPT 2741/4885PTGS1 855/4885
US-20130040877-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NPY2R, NPY1R, NPY5R ALDH1A1 4829/4885MAPT 3574/4885PTGS1 1356/4885

“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.