SCHEMBL6908386

SCHEMBL6908386

CCC(=O)N(CC(=O)OC)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.43
PDK2 Q15119 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ESR1 P03372 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
ESR2 Q92731 2/20 0.39
CA14 Q9ULX7 2/20 0.39
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
ESRRB O95718 1/20 0.36
RAB9A P51151 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AB1 P08238 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL6904257 0.87 KMT2A (0.46) CA12CA1CA2ESR1CA7
SCHEMBL6470888 0.87 ESR1 (0.39) MLYCDPDK2CA12CA1CA2
SCHEMBL6901524 0.85 MLYCD (0.50) MLYCDTSHRALDH1A1KMT2ALTB4R2
SCHEMBL5813341 0.83 MLYCD (0.45) MLYCDPDK2CA12CA1CA2
SCHEMBL6906900 0.82 ALDH1A1 (0.45) MLYCDTSHRALDH1A1KDM4EOPRM1
SCHEMBL6904246 0.82 ALDH1A1 (0.42) MLYCDESR1TSHRALDH1A1KMT2A
SCHEMBL6470863 0.81 ESR1 (0.41) MLYCDESR1ESR2TSHRALDH1A1
SCHEMBL6901537 0.80 CA2 (0.40) CA12CA1CA2ESR1CA7
SCHEMBL1826174 0.78 MLYCD (0.44) MLYCDPDK2CA12CA1CA2
Hydrochloric Acid SCHEMBL6216388 0.77 MLYCD (0.43) MLYCDPDK2CA12CA1CA2

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 MLYCD 1460/4885PDK2 1205/4885CA12 3784/4885

“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.