SCHEMBL2397588

SCHEMBL2397588

O=c1c(OP(=O)(OCc2ccccc2)OCc2ccccc2)c(-c2ccccc2)oc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.56
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 6/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KCNA3 P22001 1/20 0.52
HSD17B10 Q99714 4/20 0.51
CYP3A4 P08684 4/20 0.48
ALOX15 P16050 2/20 0.48
MAPK1 P28482 2/20 0.48
DDR2 Q16832 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL2396986 0.91 ABCG2 (0.55) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL12314360 0.82 KCNA3 (0.58) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL972002 0.81 KDM4E (0.68) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2396107 0.79 ABCG2 (0.64) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2396767 0.79 ABCG2 (0.64) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL29137753 0.77 KDM4E (0.65) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL30758496 0.77 KDM4E (0.65) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL29137757 0.75 KDM4E (0.60) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL30758534 0.75 KDM4E (0.60) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2396811 0.75 TP53 (0.48) ABCG2ALDH1A1KDM4EKMT2AMEN1

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 10 patents. 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
EP-1856085-A1 FLAVONOID COMPOUNDS AND USES THEREOF Howard Florey Institute of Experimental Physiology and Medicine (AU) 2007-11-21 EP claimed
WO-2006094357-A1 FLAVONOID COMPOUNDS AND USES THEREOF HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2006-09-14 WO claimed
EP-1856085-B1 FLAVONOID COMPOUNDS AND USES THEREOF HOWARD FLOREY INST PTY LTD (AU) 2015-07-08 EP disclosed
US-8017649-B2 Flavonoid compounds and uses thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2011-09-13 US disclosed
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
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 ABCG2 102/4885ALDH1A1 609/4885KDM4E 4144/4885

“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.