SCHEMBL6906254

SCHEMBL6906254

NC(=O)CNc1ccc(O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 4/20 0.54
ERCC4 Q92889 4/20 0.54
ARG1 P05089 1/20 0.52
TOP1 P11387 1/20 0.43
SNCA P37840 1/20 0.41
ALOX15 P16050 3/20 0.40
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
SYK P43405 1/20 0.38
EGFR P00533 2/20 0.37
NOX4 Q9NPH5 2/20 0.37
RGS12 O14924 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LCK P06239 1/20 0.37
MAPT P10636 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL453290 0.84 ALDH1A1 (0.51) ERCC1ERCC4ALOX15ALDH1A1MAPT
SCHEMBL29938824 0.84 ALDH1A1 (0.51) ERCC1ERCC4ALOX15ALDH1A1MAPT
SCHEMBL851008 0.82 ERCC1 (0.60) ERCC1ERCC4ARG1TOP1SNCA
SCHEMBL26292968 0.81 ERCC1 (0.54) ERCC1ERCC4ARG1TOP1SNCA
Water SCHEMBL9710740 0.81 ERCC1 (0.58) ERCC1ERCC4ARG1TOP1SNCA
SCHEMBL6907362 0.78 ERCC1 (0.51) ERCC1ERCC4ARG1TOP1EGFR
SCHEMBL3659518 0.78 PEPD (0.54) ALOX15EGFRALDH1A1MAPT
Hydrochloric Acid SCHEMBL8166780 0.77 ERCC1 (0.50) ERCC1ERCC4ARG1TOP1EGFR
SCHEMBL214885 0.76 SYK (0.57) SYKALDH1A1HDAC6
SCHEMBL4574261 0.76 USP2 (0.55) ALOX15ALDH1A1MAPTTDP1HDAC6

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 ERCC1 3009/4885ERCC4 2755/4885ARG1 163/4885

“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.