SCHEMBL6907362

SCHEMBL6907362

COC(=O)CNc1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.51
ERCC4 Q92889 2/20 0.51
EGFR P00533 6/20 0.49
ARG1 P05089 1/20 0.49
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 2/20 0.46
CA7 P43166 1/20 0.46
XDH P47989 1/20 0.46
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
NOX4 Q9NPH5 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
TOP1 P11387 1/20 0.41
TTR P02766 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
Hydrochloric Acid SCHEMBL8166780 0.98 ERCC1 (0.50) ERCC1ERCC4EGFRARG1CA12
SCHEMBL6906565 0.85 POLB (0.55) ERCC1ERCC4EGFRARG1CA12
SCHEMBL26292968 0.81 ERCC1 (0.54) ERCC1ERCC4EGFRARG1CA12
SCHEMBL1713162 0.79 CA1 (0.51) EGFRCA12CA1CA2CA9
SCHEMBL851008 0.79 ERCC1 (0.60) ERCC1ERCC4EGFRARG1CA12
Hydrochloric Acid SCHEMBL8165714 0.79 EGFR (0.54) EGFRCA12CA1CA2CA9
SCHEMBL5113179 0.79 POLB (0.53) CA12CA1CA2CA7ALDH1A1
SCHEMBL6906254 0.78 ERCC1 (0.54) ERCC1ERCC4EGFRARG1ALDH1A1
Water SCHEMBL9710740 0.78 ERCC1 (0.58) ERCC1ERCC4EGFRARG1CA12
Hydrochloric Acid SCHEMBL1143828 0.78 CA1 (0.50) EGFRCA12CA1CA2CA9

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 2755/4885EGFR 530/4885

“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.