SCHEMBL6010176

SCHEMBL6010176

CCC(C)C(C(=O)O)N(C(=O)C(O)CO)C(=O)C(O)CO

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.40
ALDH1A1 P00352 1/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
TP53 P04637 1/20 0.30

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
SCHEMBL6009515 0.83 OR51E2 (0.44) OR51E2TP53
SCHEMBL6009512 0.83 OR51E2 (0.44) OR51E2TP53
SCHEMBL3156914 0.75 ALDH1A1 (0.37) ALDH1A1MMEACECPA1ACE2
SCHEMBL8708558 0.75 ALDH1A1 (0.37) ALDH1A1MMEACECPA1ACE2
SCHEMBL3154725 0.75 ALDH1A1 (0.37) ALDH1A1MMEACECPA1ACE2
SCHEMBL3154732 0.75 ALDH1A1 (0.37) ALDH1A1MMEACECPA1ACE2
SCHEMBL6010336 0.75 OR51E2 (0.48) OR51E2TP53
SCHEMBL4982176 0.72 SLC7A5 (0.41)
SCHEMBL6010183 0.71 ALDH1A1 (0.33) OR51E2ALDH1A1MMEACECPA1
SCHEMBL6010193 0.71 ALDH1A1 (0.33) OR51E2ALDH1A1MMEACECPA1

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 2335/4885ALDH1A1 819/4885MME 2180/4885

“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.