SCHEMBL6498965

SCHEMBL6498965

COc1ccc(C2=Cc3ccc(O)c(OC)c3OC2)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.45
TYR P14679 2/20 0.40
CYP3A4 P08684 3/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 4/20 0.38
ALOX12 P18054 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CLK1 P49759 1/20 0.38
NOTUM Q6P988 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GFER P55789 1/20 0.38
ALOX5 P09917 1/20 0.38
MAOB P27338 2/20 0.37
NPC1 O15118 1/20 0.36
USP2 O75604 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL13704162 0.87 TYR (0.38) NR1H4TYRCYP3A4MEN1KMT2A
SCHEMBL21454416 0.76 NR1H4 (0.36) NR1H4TYRMAPTALOX15ALOX12
SCHEMBL21447064 0.76 PTPN1 (0.44) NR1H4TYRCYP3A4ALOX15ALOX12
SCHEMBL21447079 0.76 TYR (0.57) TYRCYP3A4MAPTNPC1TP53
SCHEMBL571483 0.75 TYR (0.54) NR1H4TYRCYP3A4MAPTMEN1
SCHEMBL616913 0.75 ALOX15 (0.46) NR1H4MAPTALOX15ALOX12HTT
SCHEMBL2070644 0.71 ESR2 (0.39) NR1H4MAPTALOX15ALOX12HTT
SCHEMBL11537303 0.67 PSMB5 (0.62) CYP3A4MAPTALDH1A1MAOBKDM4E
SCHEMBL340086 0.66 NPC1 (0.60) TYRCYP3A4MAPTALOX15ALDH1A1
SCHEMBL30628176 0.66 TYR (0.47) NR1H4TYRMAPTALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143588-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2005-06-30 US 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-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 NR1H4 1999/4885TYR 2129/4885CYP3A4 14/4885

“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.