SCHEMBL311702

SCHEMBL311702

O=c1cc(-c2ccc(OCCO)cc2)oc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.54
BCHE P06276 3/20 0.49
CNR2 P34972 2/20 0.49
ABCG2 Q9UNQ0 6/20 0.46
ABCC1 P33527 1/20 0.46
ACHE P22303 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
TNKS O95271 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1647044 0.86 SIGMAR1 (0.60) ABCB1BCHECNR2ABCG2ABCC1
Hydrochloric Acid SCHEMBL1645783 0.85 SIGMAR1 (0.59) ABCB1BCHECNR2ABCG2ABCC1
SCHEMBL311674 0.83 MAOB (0.63) ABCB1ABCG2ABCC1CYP1A1CYP1A2
SCHEMBL1645853 0.83 CYP1B1 (0.46) ABCB1BCHEABCG2ACHECYP1A1
SCHEMBL312620 0.81 CYP3A4 (0.46) ABCB1ABCG2ABCC1CYP1A1CYP1A2
SCHEMBL311324 0.81 NPC1 (0.60) ABCB1BCHEACHECYP1A1CYP1A2
SCHEMBL1644987 0.80 CYP1B1 (0.63) ABCB1ABCG2ABCC1CYP1A1CYP1A2
SCHEMBL1644899 0.79 MAOB (0.60) ABCB1ABCG2CYP1A1CYP1A2CYP1B1
SCHEMBL1645950 0.79 EGFR (0.54) ABCB1BCHEABCG2ACHECYP1A1
SCHEMBL13945258 0.78 CYP1A2 (0.56) ABCB1BCHEABCG2ACHECYP1A1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281396-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US claimed
US-8242130-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US claimed
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US claimed
EP-2332527-A2 Flavanoids and Isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2011-06-15 EP claimed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 US claimed
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices RESVERLOGIX CORP. (CA) 2009-01-29 US claimed
EP-1909788-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2008-04-16 EP claimed
WO-2007016525-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2007-02-08 WO claimed
US-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases HEPALINK (HONG KONG) LIMITED (HK) 2006-09-14 US claimed
EP-2314295-B1 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX INC (CA) 2015-01-28 EP disclosed
US-20130281396-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20130281396-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20130281396-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-8410109-B2 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX CORP. (CA) 2013-04-02 US disclosed
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices RESVERLOGIX CORP. (CA) 2009-01-29 US disclosed
EP-1909788-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2008-04-16 EP disclosed
EP-1838296-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2007-10-03 EP disclosed
WO-2007016525-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2007-02-08 WO 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 (4 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 ABCB1 1197/4885BCHE 3647/4885CNR2 3685/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 ABCB1 1197/4885BCHE 3647/4885CNR2 3685/4885
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices VCAM1, ICAM1, TGFB1 ABCB1 291/4885BCHE 3376/4885CNR2 3122/4885
US-20130281396-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION BCOR, BMI1, PHKB ABCB1 3078/4885BCHE 2534/4885CNR2 4196/4885

“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.