SCHEMBL1304537

SCHEMBL1304537

O=c1ccoc2c(O)c(O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 2/20 0.52
ATP1B1 P05026 2/20 0.52
ATP1A3 P13637 2/20 0.52
ATP1B2 P14415 2/20 0.52
ATP1A2 P50993 2/20 0.52
ATP1B3 P54709 2/20 0.52
FXYD2 P54710 2/20 0.52
ATP1A4 Q13733 2/20 0.52
NUDT1 P36639 1/20 0.52
ALOX15 P16050 7/20 0.47
ALOX12 P18054 4/20 0.47
PIK3CA P42336 3/20 0.47
MET P08581 1/20 0.47
FTO Q9C0B1 1/20 0.47
TERT O14746 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
CYP3A4 P08684 3/20 0.46
MAPT P10636 3/20 0.46

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
SCHEMBL12663610 0.81 KDM4E (0.50) FTOKDM4EALDH1A1MEN1HPGD
SCHEMBL31632297 0.81 KDM4E (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL27747720 0.77 PTPN1 (0.49) FTOKDM4EALDH1A1MEN1HPGD
SCHEMBL30776625 0.77 HPGD (0.53) ALOX15KDM4EALDH1A1MEN1CYP3A4
SCHEMBL4369807 0.77 ALDH1A1 (0.61) ALOX15FTOTERTKDM4EALDH1A1
SCHEMBL30903616 0.73 ALDH1A1 (0.52) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL8467023 0.73 SRD5A1 (0.52) FTOKDM4EALDH1A1MEN1MAPT
SCHEMBL28717873 0.71 FTO (0.50) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL29516885 0.71 FTO (0.50) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11616702 0.70 ALOX15 (0.52) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101279993-B 3-aryl-8-hydroxychromone-7-O-alpha-D-arabinofuranoside compound, synthetic method and use thereof SHANGHAI INST ORGANIC CHEM 2011-10-12 CN claimed
CN-101279993-A 3-aryl-8-hydroxychromone-7-O-alpha-D-arabinofuranoside compound, synthetic method and use thereof SHANGHAI INST ORGANIC CHEM (CN) 2008-10-08 CN claimed
US-8052963-B2 [(4-oxo-4H-chromen-3-yl)hydroxymethyl]- or [(4-oxo-4H-chromen-3-yl)methyl]phosphonic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-08 US disclosed
CN-101279993-B 3-aryl-8-hydroxychromone-7-O-alpha-D-arabinofuranoside compound, synthetic method and use thereof SHANGHAI INST ORGANIC CHEM 2011-10-12 CN disclosed
EP-1979337-B1 CHROMEN-4-ONE DERIVATIVES AS A SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2011-05-25 EP disclosed
EP-1979337-B1 CHROMEN-4-ONE DERIVATIVES AS A SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2011-05-25 EP disclosed
US-20100004209-A1 [(4-Oxo-4H-chromen-3-yl)hydroxymethyl]- or [(4-oxo-4H-chromen-3-yl)methyl]phosphonic acid derivatives MERCK PATENT GESELLSCHAFT (DE) 2010-01-07 US disclosed
US-20090220438-A1 CHROMEN-4-ONE DERIVATIVES AS SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2009-09-03 US disclosed
US-20090220438-A1 CHROMEN-4-ONE DERIVATIVES AS SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2009-09-03 US disclosed
US-20090220438-A1 CHROMEN-4-ONE DERIVATIVES AS SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2009-09-03 US disclosed
EP-1979337-A1 CHROMEN-4-ONE DERIVATIVES AS A SELF-TANNING SUBSTANCE Merck Patent GmbH (DE) 2008-10-15 EP disclosed
CN-101279993-A 3-aryl-8-hydroxychromone-7-O-alpha-D-arabinofuranoside compound, synthetic method and use thereof SHANGHAI INST ORGANIC CHEM (CN) 2008-10-08 CN disclosed
WO-2007087956-A1 CHROMEN-4-ONE DERIVATIVES AS A SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2007-08-09 WO disclosed
WO-2007087956-A1 CHROMEN-4-ONE DERIVATIVES AS A SELF-TANNING SUBSTANCE MERCK PATENT GMBH (DE) 2007-08-09 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 (2 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-20090220438-A1 CHROMEN-4-ONE DERIVATIVES AS SELF-TANNING SUBSTANCE C9, CYP8B1, TYR ATP1A1 2588/4885ATP1B1 1991/4885ATP1A3 1930/4885
US-20100004209-A1 [(4-Oxo-4H-chromen-3-yl)hydroxymethyl]- or [(4-oxo-4H-chromen-3-yl)methyl]phosphonic acid derivatives H1-4, H1-0, H1-5 ATP1A1 1697/4885ATP1B1 1896/4885ATP1A3 2427/4885

“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.