SCHEMBL6009878

SCHEMBL6009878

O=C(O)C(Cc1ccccc1)N(CC(O)CO)CC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.42
CPA1 P15085 3/20 0.41
CPA3 P15088 3/20 0.41
FOLH1 Q04609 1/20 0.41
CPB1 P15086 1/20 0.41
CPB2 Q96IY4 1/20 0.41
TRPA1 O75762 2/20 0.41
SRR Q9GZT4 2/20 0.40
EPHX1 P07099 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6009856 1.00 CYP1A2 (0.46) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6010285 0.88 SLC7A5 (0.46) SLC7A5FOLH1
SCHEMBL6010271 0.88 SLC7A5 (0.46) SLC7A5FOLH1
SCHEMBL14906282 0.79 CSNK1E (0.50)
SCHEMBL8950931 0.78 CYP1A2 (0.50) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL8202673 0.78 CYP1A2 (0.53) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL2319694 0.78 CYP1A2 (0.53) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6009867 0.77 CYP1A2 (0.42) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6010151 0.77 OR51E2 (0.39) ALDH1A1
SCHEMBL6010163 0.77 OR51E2 (0.39) ALDH1A1

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 3183/4885ALPI 2971/4885PKM 3586/4885

“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.