SCHEMBL6906520

SCHEMBL6906520

COC(=O)CN(C=O)c1cccc(OC(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.45
ACHE P22303 3/20 0.42
MTNR1A P48039 8/20 0.41
MTNR1B P49286 8/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 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
SCHEMBL6905593 0.88 LMNA (0.48) ALOX15CYP3A4LMNAACHEMTNR1A
SCHEMBL6906627 0.86 LMNA (0.47) ALOX15CYP3A4LMNAACHEMTNR1A
SCHEMBL6902209 0.86 ALOX15 (0.44) ALOX15CYP3A4LMNAACHEMTNR1A
SCHEMBL6907195 0.83 KMT2A (0.45) CYP3A4LMNAKMT2AMEN1ALDH1A1
SCHEMBL6906587 0.82 CYP3A4 (0.46) CYP3A4LMNAACHEMTNR1AMTNR1B
SCHEMBL6904457 0.82 LMNA (0.43) CYP3A4LMNAACHEMTNR1AMTNR1B
SCHEMBL6909975 0.80 ALDH1A1 (0.47) ALOX15CYP3A4LMNAMTNR1AMTNR1B
SCHEMBL6901533 0.78 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7595655 0.76 KMT2A (0.45) CYP3A4LMNAACHEMTNR1AMTNR1B
SCHEMBL11242342 0.75 KMT2A (0.56) ALOX15CYP3A4LMNAACHEMTNR1A

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 ALOX15 673/4885CYP3A4 4050/4885LMNA 1347/4885

“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.