SCHEMBL6906982

SCHEMBL6906982

CCC(=O)N(CC(N)=O)c1cccc(OC(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.44
ACHE P22303 3/20 0.41
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ADORA2A P29274 1/20 0.37
USP2 O75604 1/20 0.36
ALOX15 P16050 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
SCHEMBL6907387 0.88 LMNA (0.45) LMNACYP3A4ACHEMTNR1AMTNR1B
SCHEMBL6909985 0.86 LMNA (0.47) LMNACYP3A4ACHEMTNR1AMTNR1B
SCHEMBL6904457 0.86 LMNA (0.43) LMNACYP3A4ACHEMTNR1AMTNR1B
SCHEMBL6907641 0.83 LMNA (0.42) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6908460 0.83 LMNA (0.40) LMNACYP3A4ACHEMTNR1AMTNR1B
SCHEMBL6907366 0.79 ALDH1A1 (0.47) CYP3A4ACHEALDH1A1HPGDKDM4E
SCHEMBL6917367 0.77 CYP3A4 (0.45) LMNACYP3A4ACHEMTNR1AMTNR1B
SCHEMBL6908846 0.77 TP53 (0.54) CYP3A4ACHEMEN1KMT2AALDH1A1
SCHEMBL6907787 0.76 LMNA (0.48) LMNACYP3A4ACHEMTNR1AMTNR1B
SCHEMBL6909174 0.75 LMNA (0.49) LMNACYP3A4ACHEMTNR1AMTNR1B

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 LMNA 1347/4885CYP3A4 4050/4885ACHE 4675/4885

“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.