SCHEMBL4157325

SCHEMBL4157325

CC(=O)Oc1c(-c2ccccc2)oc2cc(O)cc(O)c2c1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.76
ADORA3 P0DMS8 3/20 0.66
CYP3A4 P08684 5/20 0.64
CYP2D6 P10635 5/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
MAPT P10636 4/20 0.64
CYP1A1 P04798 3/20 0.64
CYP1A2 P05177 3/20 0.64
CYP1B1 Q16678 3/20 0.64
FTO Q9C0B1 3/20 0.64
CA12 O43570 2/20 0.64
BCHE P06276 2/20 0.64
CYP2C9 P11712 2/20 0.64
ACHE P22303 2/20 0.64
CYP2C19 P33261 2/20 0.64
PPARG P37231 2/20 0.64
CA7 P43166 2/20 0.64
XDH P47989 2/20 0.64
TRPC5 Q9UL62 2/20 0.64

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
SCHEMBL30627918 0.91 CYP3A4 (0.75) ABCB1CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4160544 0.91 CYP3A4 (0.75) ABCB1CYP3A4CYP2D6MEN1KMT2A
SCHEMBL30627917 0.91 CYP3A4 (0.75) ABCB1CYP3A4CYP2D6MEN1KMT2A
SCHEMBL28410849 0.89 ADORA3 (0.79) ABCB1ADORA3CYP3A4CYP2D6MEN1
SCHEMBL31548920 0.87 CYP3A4 (0.80) ABCB1CYP3A4CYP2D6MEN1KMT2A
SCHEMBL4159721 0.87 ABCB1 (0.71) ABCB1ADORA3CYP3A4CYP2D6MEN1
SCHEMBL31236662 0.87 POLH (0.76) ABCB1ADORA3CYP3A4CYP2D6MEN1
SCHEMBL4175201 0.87 POLH (0.76) ABCB1ADORA3CYP3A4CYP2D6MEN1
SCHEMBL28428273 0.86 ADORA3 (0.67) ABCB1ADORA3CYP3A4CYP2D6MEN1
SCHEMBL4631662 0.86 ABCB1 (1.00) ABCB1ADORA3CYP3A4CYP2D6MEN1

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-20090130051-A1 Flavonoid Compounds and Uses Thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2009-05-21 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-20090130051-A1 Flavonoid Compounds and Uses Thereof CAT, NQO1, GPX4 ABCB1 1605/4885ADORA3 2776/4885CYP3A4 518/4885

“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.