SCHEMBL6907643

SCHEMBL6907643

CCC(=O)NCC(=O)Nc1ccc(OC(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
HSD17B10 Q99714 2/20 0.53
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 3/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HSP90AA1 P07900 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 4/20 0.45
HPGD P15428 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
LMNA P02545 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL11022210 0.89 GAA (0.65) GAAHSD17B10HTTTSHRKMT2A
SCHEMBL6900834 0.88 GAA (0.60) GAAHSD17B10HTTTSHRKMT2A
SCHEMBL6906985 0.83 MEN1 (0.57) GAAHSD17B10HTTKMT2AMEN1
SCHEMBL31362602 0.80 TP53 (0.64) GAAHSD17B10HTTTSHRKMT2A
SCHEMBL6901539 0.79 CYP1A1 (0.51) GAATSHRKMT2AMEN1POLB
SCHEMBL6907747 0.79 GAA (0.57) GAAHSD17B10HTTTSHRKMT2A
SCHEMBL6073513 0.78 GAA (0.63) GAAHSD17B10HTTTSHRKMT2A
SCHEMBL6905913 0.78 GAA (0.63) GAAHSD17B10HTTTSHRKMT2A
SCHEMBL5228411 0.78 GAA (0.63) GAAHSD17B10HTTTSHRKMT2A
SCHEMBL6908849 0.77 MAPT (0.66) GAAKMT2AMEN1POLBPKM

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 6 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
US-20030108496-A1 Compositions comprising phenyl-glycine derivatives YU RUEY J (US) 2003-06-12 US 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 GAA 1037/4885HSD17B10 513/4885HTT 684/4885

“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.