SCHEMBL2397536

SCHEMBL2397536

O=c1c(OP(=O)([O-])[O-])c(-c2ccc(O)c(O)c2)oc2ccccc12.[Na+].[Na+]

nearest known ligand 0.64

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 known ✓ P09917 1/20 0.49
XDH known ✓ P47989 2/20 0.47
SYK known ✓ P43405 1/20 0.47
ADORA3 known ✓ P0DMS8 1/20 0.46
KDM4E B2RXH2 6/20 0.64
MAPT P10636 6/20 0.64
HSD17B10 Q99714 6/20 0.64
CYP3A4 P08684 5/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
ALOX15 P16050 3/20 0.64
MAPK1 P28482 3/20 0.64
RECQL P46063 3/20 0.64
TP53 P04637 3/20 0.64
CYP2C9 P11712 3/20 0.64
ST6GAL1 P15907 2/20 0.64
ALOX12 P18054 2/20 0.64
CDK2 P24941 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 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
SCHEMBL2396323 0.89 HSD17B10 (0.66) KDM4EMAPTHSD17B10CYP3A4MEN1
SCHEMBL2396107 0.83 ABCG2 (0.64) KDM4EMAPTHSD17B10CYP3A4MEN1
SCHEMBL3282447 0.82 KDM4E (0.71) KDM4EMAPTHSD17B10CYP3A4MEN1
SCHEMBL3754134 0.81 KDM4E (0.62) KDM4EMAPTHSD17B10CYP3A4MEN1
SCHEMBL16882942 0.79 KDM4E (0.68) KDM4EMAPTHSD17B10CYP3A4MEN1
SCHEMBL4165699 0.79 POLH (0.71) KDM4EMAPTHSD17B10CYP3A4MEN1
SCHEMBL15676575 0.79 MEN1 (1.00) KDM4EMAPTHSD17B10CYP3A4MEN1
SCHEMBL30626973 0.79 MEN1 (1.00) KDM4EMAPTHSD17B10CYP3A4MEN1
SCHEMBL169366 0.79 MEN1 (1.00) KDM4EMAPTHSD17B10CYP3A4MEN1
SCHEMBL29437764 0.79 MEN1 (1.00) KDM4EMAPTHSD17B10CYP3A4MEN1

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 5 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
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 ALOX5 387/4885XDH 173/4885SYK 3027/4885

“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.