SCHEMBL738096

SCHEMBL738096

O=c1cc(-c2ccccc2)oc2cc(O)c(OS(=O)(=O)[O-])c(O)c12.[Na+]

nearest known ligand 0.69

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
GABRP known ✓ O00591 3/20 0.63
GABRD known ✓ O14764 3/20 0.63
GABRA1 known ✓ P14867 3/20 0.63
GABRB1 known ✓ P18505 3/20 0.63
GABRG2 known ✓ P18507 3/20 0.63
GABRB3 known ✓ P28472 3/20 0.63
GABRA5 known ✓ P31644 3/20 0.63
GABRA3 known ✓ P34903 3/20 0.63
GABRA2 known ✓ P47869 3/20 0.63
GABRB2 known ✓ P47870 3/20 0.63
GABRA4 known ✓ P48169 3/20 0.63
GABRE known ✓ P78334 3/20 0.63
GABRA6 known ✓ Q16445 3/20 0.63
GABRG1 known ✓ Q8N1C3 3/20 0.63
GABRG3 known ✓ Q99928 3/20 0.63
GABRQ known ✓ Q9UN88 3/20 0.63
THRB known ✓ P10828 2/20 0.63
XDH known ✓ P47989 2/20 0.63
NR3C1 known ✓ P04150 1/20 0.63
CA12 known ✓ O43570 1/20 0.53

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
SCHEMBL738706 0.88 CREB1 (0.72) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL5607087 0.83 ABCB1 (0.67) SLCO2B1ABCB1MEN1MAPTKMT2A
SCHEMBL737652 0.82 CREB1 (0.70) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL27511352 0.82 ABCB1 (0.67) CREB1FLT3PRSS1PRSS2PRSS3
Oroxylin A SCHEMBL431423 0.82 CREB1 (1.00) CREB1FLT3PRSS1PRSS2PRSS3
Oroxylin A SCHEMBL30452350 0.82 CREB1 (1.00) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL971997 0.81 CREB1 (0.75) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL972514 0.80 CREB1 (1.00) CREB1FLT3PRSS1PRSS2PRSS3
Baicalein SCHEMBL28132467 0.79 ABCB1 (0.89) CREB1FLT3PRSS1PRSS2PRSS3
SCHEMBL971995 0.79 CREB1 (1.00) CREB1FLT3PRSS1PRSS2PRSS3

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
US-8138165-B2 Chromones and chromone derivatives and uses thereof JENKEN BIOSCIENCES, INC. (US) 2012-03-20 US disclosed
EP-1556031-A4 CHROMONES AND CHROMONE DERIVATIVES AND USES THEREOF JENKEN BIOSCIENCES INC (US) 2009-03-25 EP disclosed
US-20060142211-A1 Chromones and chromone derivatives and uses thereof TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2006-06-29 US disclosed
EP-1556031-A2 CHROMONES AND CHROMONE DERIVATIVES AND USES THEREOF Jenken Bioscience, Inc. (US) 2005-07-27 EP disclosed
WO-2004037193-A2 CHROMONES AND CHROMONE DERIVATIVES AND USES THEREOF JENKEN BIOSCIENCES, INC. (US) 2004-05-06 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-20060142211-A1 Chromones and chromone derivatives and uses thereof PROC, HMGB1, PYCARD GABRP 4406/4885GABRD 4855/4885GABRA1 4666/4885

“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.