SCHEMBL6009565

SCHEMBL6009565

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.41
MME P08473 5/20 0.37
RNPEP Q9H4A4 1/20 0.36
SLC7A5 Q01650 1/20 0.36
CPA1 P15085 1/20 0.34
MAPT P10636 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 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
SCHEMBL6010143 0.82 OR51E2 (0.50) OR51E2
SCHEMBL6010336 0.76 OR51E2 (0.48) OR51E2
SCHEMBL7411918 0.76 RNPEP (0.44) MMERNPEPSLC7A5CPA1MAPT
SCHEMBL7411914 0.76 RNPEP (0.44) MMERNPEPSLC7A5CPA1MAPT
SCHEMBL3056494 0.76 SLC7A5 (0.57) RNPEPSLC7A5CPA1CACNA2D1CACNB3
SCHEMBL6009469 0.74 TET2 (0.47) OR51E2SLC1A3SLC1A2
SCHEMBL19858948 0.74 RNPEP (0.43) RNPEPSLC7A5CPA1MAPTALDH1A1
SCHEMBL19858949 0.74 RNPEP (0.43) RNPEPSLC7A5CPA1MAPTALDH1A1
SCHEMBL6009555 0.74 RNPEP (0.42) OR51E2RNPEPALDH1A1
SCHEMBL6009515 0.73 OR51E2 (0.44) OR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060018864-A1 Cosmetic preparation containing glycerylamino acid derivative SEIWA KASEI COMPANY, LIMITED (JP) 2006-01-26 US disclosed
EP-1584320-A1 COSMETIC PREPARATION CONTAINING GLYCERYLAMINO ACID DERIVATIVE Seiwa Kasei Company, Limited (JP) 2005-10-12 EP 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-20060018864-A1 Cosmetic preparation containing glycerylamino acid derivative GLA, GPKOW, CUTA OR51E2 2335/4885MME 2180/4885RNPEP 2950/4885

“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.