SCHEMBL4199528

SCHEMBL4199528

O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(O)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.64
MMP2 P08253 13/20 0.64
MMP9 P14780 13/20 0.64
MEN1 O00255 2/20 0.58
AKR1B1 P15121 2/20 0.58
NFKB1 P19838 2/20 0.58
KMT2A Q03164 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
EGFR P00533 1/20 0.58
SRC P12931 1/20 0.58
CDK2 P24941 1/20 0.58
HSD17B2 P37059 1/20 0.58
PIK3CA P42336 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
TRPM2 O94759 1/20 0.54
TRPA1 O75762 1/20 0.54
KDM4E B2RXH2 2/20 0.53

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
SCHEMBL4199523 1.00 MMP1 (0.64) MMP1MMP2MMP9MEN1AKR1B1
SCHEMBL29403984 1.00 MMP1 (0.64) MMP1MMP2MMP9MEN1AKR1B1
SCHEMBL30041332 1.00 MMP1 (0.64) MMP1MMP2MMP9MEN1AKR1B1
SCHEMBL9973849 0.91 MMP1 (0.63) MMP1MMP2MMP9MEN1AKR1B1
SCHEMBL30492916 0.90 MMP1 (0.58) MMP1MMP2MMP9MEN1AKR1B1
SCHEMBL10005257 0.89 MMP1 (0.66) MMP1MMP2MMP9MEN1AKR1B1
SCHEMBL29913807 0.89 TRPM2 (0.62) MMP1MMP2MMP9MEN1KMT2A
SCHEMBL4670083 0.89 TRPM2 (0.62) MMP1MMP2MMP9MEN1KMT2A
SCHEMBL5351229 0.89 TRPM2 (0.62) MMP1MMP2MMP9MEN1KMT2A
SCHEMBL14227304 0.88 BACE1 (0.56) MMP1MMP2MMP9MEN1NFKB1

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
WO-2023140435-A1 METHOD FOR SYNTHESIZING AVENANTHRAMIDES C 동아대학교 산학협력단 2023-07-27 WO disclosed
EP-4114350-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE WITH IMPROVED SKIN PENETRATION Symrise AG (DE) 2023-01-11 EP disclosed
WO-2021176074-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE WITH IMPROVED SKIN PENETRATION SYMRISE AG (DE) 2021-09-10 WO disclosed
US-20090124669-A1 Structural Analogues of Avenanthramides, Their Use in Compositions Useful in the Treatment of Dermatological Disorders RELIVIA S.R.L 2009-05-14 US disclosed
EP-1856030-A2 STRUCTURAL ANALOGUES OF AVENANTHRAMIDES, THEIR USE IN COMPOSITIONS USEFUL IN THE TREATMENT OF DERMATOLOGICAL DISORDERS RELIVIA SRL (IT) 2007-11-21 EP disclosed
WO-2006087393-A2 STRUCTURAL ANALOGUES OF AVENANTHRAMIDES, THEIR USE IN COMPOSITIONS USEFUL IN THE TREATMENT OF DERMATOLOGICAL DISORDERS RELIVIA S.R.L. (IT) 2006-08-24 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-20090124669-A1 Structural Analogues of Avenanthramides, Their Use in Compositions Useful in the Treatment of Dermatological Disorders OAT, HLA-DRB1, CUTA MMP1 165/4885MMP2 1649/4885MMP9 2128/4885

“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.