SCHEMBL6009867

SCHEMBL6009867

O=C(O)[C@H](Cc1ccccc1)N(OCC(O)CO)OCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
PPARG P37231 14/20 0.41
PPARA Q07869 12/20 0.41
SRR Q9GZT4 2/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40

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
SCHEMBL6010274 0.89 SLC7A5 (0.43) PPARGPPARASLC7A5
SCHEMBL6010156 0.79 OR51E2 (0.34)
SCHEMBL6010164 0.78 SMN1; SMN2 (0.56) PKM
SCHEMBL6009878 0.77 CYP1A2 (0.46) CYP1A2SRRALPIPKMPTGS1
SCHEMBL6009856 0.77 CYP1A2 (0.46) CYP1A2SRRALPIPKMPTGS1
SCHEMBL6009483 0.75 TET2 (0.38) CYP1A2
SCHEMBL3248704 0.74 CYP1A2 (0.50) CYP1A2PPARGPPARASRRALPI
SCHEMBL472008 0.74 CYP1A2 (0.50) CYP1A2PPARGPPARASRRALPI
SCHEMBL6009578 0.73 MME (0.36) SLC7A5
SCHEMBL6009582 0.73 CYP3A4 (0.48) PKMSLC7A5

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 CYP1A2 3183/4885PPARG 118/4885PPARA 378/4885

“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.