SCHEMBL2396767

SCHEMBL2396767

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.64
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 8/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 3/20 0.60
GAA P10253 2/20 0.60
HTT P42858 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP3A4 P08684 5/20 0.59
ALOX15 P16050 2/20 0.59
MAPK1 P28482 2/20 0.59
TP53 P04637 2/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
ABCB1 P08183 1/20 0.59
CALM1 P0DP23 1/20 0.59
AR P10275 1/20 0.59

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
SCHEMBL12266094 0.90 ALDH1A1 (0.63) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL4504207 0.89 ABCG2 (0.58) ABCG2ALDH1A1KDM4EKMT2AMEN1
Ammonia Solution, Strong SCHEMBL5685501 0.88 ABCG2 (0.57) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2396107 0.85 ABCG2 (0.64) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2396323 0.84 HSD17B10 (0.66) ABCG2ALDH1A1KDM4EKMT2AMEN1
Flavonol SCHEMBL16150505 0.79 KDM4E (0.88) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL9531458 0.79 ALDH1A1 (0.76) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2397588 0.79 ABCG2 (0.56) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL29993383 0.78 ABCG2 (1.00) ABCG2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL253523 0.78 ABCG2 (1.00) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856085-B1 FLAVONOID COMPOUNDS AND USES THEREOF HOWARD FLOREY INST PTY LTD (AU) 2015-07-08 EP disclosed
EP-1856085-B1 FLAVONOID COMPOUNDS AND USES THEREOF HOWARD FLOREY INST PTY LTD (AU) 2015-07-08 EP disclosed
CN-101137639-B Flavonoid compounds and uses thereof FLOREY HOWARD INST 2012-05-23 CN 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-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
US-20090130051-A1 Flavonoid Compounds and Uses Thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2009-05-21 US disclosed
CN-101137639-A Flavonoid compounds and uses thereof AND MEDICINE HOWARD FLOREY INS (AU) 2008-03-05 CN 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.