SCHEMBL6906985

SCHEMBL6906985

CCC(=O)NCC(=O)Nc1cccc(OC(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
RAB9A P51151 3/20 0.52
POLB P06746 2/20 0.52
NR4A1 P22736 1/20 0.52
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
TP53 P04637 1/20 0.52
MTNR1B P49286 2/20 0.50
MTNR1A P48039 1/20 0.50
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48
EPHX2 P34913 1/20 0.47
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL6906485 0.89 MEN1 (0.59) MEN1KMT2ARAB9APOLBNR4A1
SCHEMBL6907643 0.83 GAA (0.57) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL11679930 0.81 MEN1 (0.64) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL31570065 0.81 MEN1 (0.64) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL6905019 0.81 MEN1 (0.57) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL11871734 0.81 MTNR1B (0.56) MEN1KMT2ARAB9APOLBNR4A1
SCHEMBL11883884 0.80 MEN1 (0.62) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL6907370 0.79 NLRP3 (0.56) MEN1KMT2ARAB9APOLBNR4A1
SCHEMBL6906987 0.78 MEN1 (0.50) MEN1KMT2ARAB9APOLBNR4A1
SCHEMBL359762 0.78 MEN1 (0.71) MEN1KMT2ARAB9APOLBALDH1A1

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 MEN1 3723/4885KMT2A 1750/4885RAB9A 2579/4885

“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.