SCHEMBL6908657

SCHEMBL6908657

CCOC(=O)CN(C(=O)CC)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
OPRM1 P35372 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
GSTO1 P78417 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6907473 0.88 CA1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6907851 0.88 OPRM1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL6907834 0.83 OPRM1 (0.48) CA1CA2OPRM1SIGMAR1ALDH1A1
SCHEMBL6905571 0.81 OPRM1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL6905862 0.80 TDP1 (0.44) SMN1; SMN2ALDH1A1KDM4EMAPTGSTO1
SCHEMBL6901552 0.80 SMN1; SMN2 (0.60) OPRM1SIGMAR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6905893 0.79 CA1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL18055614 0.75 TDP1 (0.53) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL6904257 0.75 KMT2A (0.46) CA12CA1CA2CA7CA9
SCHEMBL6907879 0.74 ALDH1A1 (0.45) CA12CA1CA2CA7CA9

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 CA12 3784/4885CA1 3257/4885CA2 1324/4885

“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.