SCHEMBL6907370

SCHEMBL6907370

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56
RAB9A P51151 3/20 0.55
POLB P06746 1/20 0.55
NR4A1 P22736 1/20 0.55
GAA P10253 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL6360996 0.89 RAB9A (0.69) NLRP3ALDH1A1CYP1A2RAB9APOLB
SCHEMBL6907029 0.86 ALDH1A1 (0.67) NLRP3ALDH1A1CYP1A2RAB9APOLB
SCHEMBL6908849 0.82 MAPT (0.66) ALDH1A1RAB9APOLBGAAMEN1
SCHEMBL6901539 0.80 CYP1A1 (0.51) ALDH1A1CYP1A2RAB9APOLBGAA
SCHEMBL5142374 0.79 ALDH1A1 (0.66) NLRP3ALDH1A1CYP1A2RAB9AMEN1
SCHEMBL2885788 0.79 NLRP3 (0.64) NLRP3ALDH1A1CYP1A2MAPT
SCHEMBL6906985 0.79 MEN1 (0.57) ALDH1A1RAB9APOLBNR4A1GAA
SCHEMBL10845090 0.79 AURKB (0.53) NLRP3ALDH1A1CYP1A2RAB9AMAPT
SCHEMBL10970617 0.77 RAB9A (0.85) ALDH1A1CYP1A2RAB9APOLBNR4A1
SCHEMBL10580750 0.77 ALDH1A1 (0.68) NLRP3ALDH1A1CYP1A2RAB9APOLB

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 NLRP3 2669/4885ALDH1A1 1110/4885CYP1A2 3234/4885

“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.