SCHEMBL6901558

SCHEMBL6901558

O=CNCC(=O)Nc1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
NLRP3 Q96P20 11/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
HDAC4 P56524 1/20 0.47

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
SCHEMBL7141734 0.83 MEN1 (0.68) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL6018151 0.81 EPHX2 (0.53) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL5142374 0.81 ALDH1A1 (0.66) ALDH1A1CYP1A2NLRP3MEN1KMT2A
SCHEMBL6907438 0.80 CYP1A1 (0.53) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL9799670 0.78 ALDH1A1 (0.61) ALDH1A1CYP1A2NLRP3MEN1KMT2A
SCHEMBL6907029 0.77 ALDH1A1 (0.67) ALDH1A1CYP1A2NLRP3MEN1KMT2A
SCHEMBL8250156 0.77 ALDH1A1 (0.59) ALDH1A1NLRP3MAPT
SCHEMBL6905019 0.77 MEN1 (0.57) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL6907370 0.76 NLRP3 (0.56) ALDH1A1CYP1A2NLRP3MEN1KMT2A
SCHEMBL14202768 0.76 ALDH1A1 (0.59) ALDH1A1CYP1A2NLRP3MEN1KMT2A

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

“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.