SCHEMBL6905862

SCHEMBL6905862

CCOC(=O)CN(C(=O)CC)c1ccccc1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
PTGS2 P35354 8/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39
BLM P54132 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
GSTO1 P78417 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL6906728 0.91 TDP1 (0.44) TDP1PTGS2KDM4EHSD17B10NPC1
SCHEMBL6901561 0.90 TDP1 (0.45) TDP1PTGS2KDM4EHSD17B10NPC1
SCHEMBL6900835 0.89 HSD17B10 (0.40) TDP1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL6904263 0.86 PTGS2 (0.44) TDP1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL6904187 0.85 PTGS2 (0.40) TDP1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL6906526 0.81 TDP1 (0.44) TDP1PTGS2KDM4EHSD17B10NPC1
SCHEMBL6908657 0.80 CA12 (0.44) TDP1KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL6900854 0.80 TDP1 (0.46) TDP1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL20164248 0.79 PTGS2 (0.42) TDP1PTGS2KDM4EHSD17B10NPC1
SCHEMBL31083324 0.78 LMNA (0.44) TDP1KDM4EHSD17B10NPC1RAB9A

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 TDP1 4249/4885PTGS2 677/4885KDM4E 2760/4885

“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.