SCHEMBL6905494

SCHEMBL6905494

CC(=O)N(CC(=O)O)c1ccc(O)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
RGS12 O14924 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
NFKB1 P19838 2/20 0.43
APEX1 P27695 2/20 0.43
BLM P54132 2/20 0.43
GNAI1 P63096 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
BRCA1 P38398 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL12275098 0.85 ESR1 (0.41) KDM4EHSD17B10LMNA
SCHEMBL11133484 0.84 PKM (0.38) MEN1PKMKMT2A
SCHEMBL6346993 0.82 SMN1; SMN2 (0.46) KDM4ERGS12POLBHPGDNFKB1
SCHEMBL6907182 0.82 PTPN1 (0.41) KDM4ERGS12POLBHPGDNFKB1
SCHEMBL935744 0.80 MLYCD (0.41) ALDH1A1
SCHEMBL6905949 0.80 TTR (0.48) KDM4ERGS12POLBHPGDNFKB1
SCHEMBL28877427 0.80 LCK (0.43) KDM4ERGS12POLBHPGDNFKB1
SCHEMBL11137039 0.79 MLYCD (0.38) MEN1PKMKMT2A
SCHEMBL6907862 0.78 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL6340899 0.78 MCL1 (0.43) KDM4ERGS12POLBHPGDNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6824786-B2 TOPICAL APPLYING COSMETIC YU RUEY J (US) 2004-11-30 US claimed
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP claimed
US-20030108496-A1 Compositions comprising phenyl-glycine derivatives YU RUEY J (US) 2003-06-12 US claimed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 WO claimed
US-6824786-B2 TOPICAL APPLYING COSMETIC YU RUEY J (US) 2004-11-30 US disclosed
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP disclosed
US-20030108496-A1 Compositions comprising phenyl-glycine derivatives YU RUEY J (US) 2003-06-12 US disclosed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 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 (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-20030108496-A1 Compositions comprising phenyl-glycine derivatives GRHPR, ARL1, SUCLG1 KDM4E 2760/4885RGS12 1980/4885POLB 2304/4885

“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.