SCHEMBL311792

SCHEMBL311792

COc1ccc(C(=O)Oc2ccccc2C(C)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.62
MAPT P10636 6/20 0.62
SLC6A3 Q01959 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 2/20 0.50
PRSS1 P07477 1/20 0.50
ACR P10323 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL11672847 0.88 SLC6A3 (0.62) KMT2AMAPTSLC6A3L3MBTL1ESR1
SCHEMBL5706030 0.88 SLC6A3 (0.77) KMT2AMAPTSLC6A3L3MBTL1ESR1
SCHEMBL29149090 0.86 KMT2A (0.53) KMT2AMAPTSLC6A3L3MBTL1NPC1
SCHEMBL26490187 0.85 SLC6A3 (0.72) KMT2AMAPTSLC6A3ESR1ESR2
SCHEMBL25326319 0.84 KMT2A (0.84) KMT2AMAPTL3MBTL1ESR1ESR2
SCHEMBL7592511 0.84 SLC6A3 (0.57) KMT2AMAPTSLC6A3ESR1ESR2
SCHEMBL11271059 0.84 SLC6A3 (0.54) KMT2AMAPTSLC6A3L3MBTL1ESR1
SCHEMBL21159215 0.83 KMT2A (0.67) KMT2AMAPTL3MBTL1ESR1ESR2
SCHEMBL21771828 0.82 SLC6A3 (0.60) KMT2AMAPTSLC6A3L3MBTL1ESR1
SCHEMBL13337818 0.82 KMT2A (0.49) KMT2AMAPTSLC6A3L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242130-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
EP-1838296-B1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP (CA) 2012-08-08 EP disclosed
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
EP-2332527-A2 Flavanoids and Isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2011-06-15 EP disclosed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 US disclosed
EP-1838296-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2007-10-03 EP disclosed
US-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases HEPALINK (HONG KONG) LIMITED (HK) 2006-09-14 US disclosed
WO-2006045096-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2006-04-27 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-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases APOB, APOL1, FABP3 KMT2A 2842/4885MAPT 2914/4885SLC6A3 2992/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 KMT2A 2842/4885MAPT 2914/4885SLC6A3 2992/4885

“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.