SCHEMBL6441910

SCHEMBL6441910

O=C(/C=C(O)/C=C/c1cc(O)c(O)c(O)c1)/C=C/c1cc(O)c(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.62
GSK3B P49841 6/20 0.62
TLR9 Q9NR96 1/20 0.62
JUN P05412 3/20 0.56
FOS P01100 2/20 0.56
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2B6 P20813 1/20 0.47
MAOB P27338 1/20 0.46
PRMT1 Q99873 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
HDAC3 O15379 1/20 0.46

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
SCHEMBL6440618 1.00 BACE1 (0.62) BACE1GSK3BTLR9JUNFOS
SCHEMBL6440499 0.86 JUN (0.70) BACE1GSK3BTLR9JUNFOS
SCHEMBL6440492 0.86 JUN (0.70) BACE1GSK3BTLR9JUNFOS
SCHEMBL16093483 0.84 BACE1 (0.68) BACE1GSK3BTLR9JUNFOS
SCHEMBL514059 0.78 KDM4E (0.64) BACE1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL514058 0.78 KDM4E (0.64) BACE1CYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL7565045 0.77 BACE1 (0.40) BACE1GSK3BTLR9JUNFOS
SCHEMBL16093484 0.77 APP (0.58) BACE1GSK3BTLR9JUNFOS
SCHEMBL609968 0.77 GSK3B (1.00) BACE1GSK3BTLR9JUNFOS
SCHEMBL609967 0.77 GSK3B (1.00) BACE1GSK3BTLR9JUNFOS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900356-B2 Polyhydroxy curcumins having antioxidant activity LAILA IMPEX (IN) 2005-05-31 US claimed
US-20030216600-A1 Novel polyhydroxy curcumins having antioxidant activity LAILA IMPEX (IN) 2003-11-20 US claimed
WO-2002083614-A1 NOVEL POLYHYDROXY CURCUMINS HAVING ANTIOXIDANT ACTIVITY LAILA, IMPEX (IN) 2002-10-24 WO claimed

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-20030216600-A1 Novel polyhydroxy curcumins having antioxidant activity DBH, KEAP1, HMOX1 BACE1 1873/4885GSK3B 3364/4885TLR9 3151/4885

“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.