SCHEMBL2398442

SCHEMBL2398442

O=c1cc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2O)oc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.54
▸ CYP3A4 P08684 6/20 0.54
▸ CYP2C19 P33261 5/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ CYP2C9 P11712 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 4/20 0.53
▸ TP53 P04637 3/20 0.53
▸ CYP2D6 P10635 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ BCHE P06276 2/20 0.51
▸ ACHE P22303 2/20 0.51
▸ CREB1 P16220 1/20 0.51
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C2 P52895 1/20 0.50

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
SCHEMBL4230092 0.89 MAOB (0.50) MAPTTDP1BCHEACHECREB1
SCHEMBL5126201 0.84 CSNK2A2 (0.50) HPGDCYP3A4CYP2C19KDM4EMEN1
SCHEMBL2398219 0.81 KDM4E (0.66) HPGDCYP3A4CYP2C19KDM4EMEN1
Flavone SCHEMBL1019491 0.81 CREB1 (0.73) HPGDCYP3A4CYP2C19KDM4EMEN1
SCHEMBL14696945 0.74 CYP3A4 (0.76) HPGDCYP3A4CYP2C19KDM4EMEN1
SCHEMBL8782467 0.74 TNKS (0.56) HPGDCYP3A4CYP2C19KDM4EMEN1
SCHEMBL972006 0.73 CREB1 (0.83) HPGDCYP3A4CYP2C19KDM4EMEN1
SCHEMBL1772778 0.73 HPGD (0.78) HPGDCYP3A4CYP2C19KDM4EMEN1
SCHEMBL4157444 0.72 CYP19A1 (0.63) HPGDCYP3A4CYP2C19KDM4EMEN1
SCHEMBL4404228 0.72 FYN (0.64) HPGDCYP3A4CYP2C19KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017649-B2 Flavonoid compounds and uses thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2011-09-13 — — US disclosed
US-20090130051-A1 Flavonoid Compounds and Uses Thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2009-05-21 — — US disclosed
EP-1856085-A1 FLAVONOID COMPOUNDS AND USES THEREOF Howard Florey Institute of Experimental Physiology and Medicine (AU) 2007-11-21 — — EP disclosed
WO-2006094357-A1 FLAVONOID COMPOUNDS AND USES THEREOF HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2006-09-14 — — 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-20090130051-A1 Flavonoid Compounds and Uses Thereof CAT, NQO1, GPX4 HPGD 137/4885CYP3A4 518/4885CYP2C19 474/4885

“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.

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