SCHEMBL348729

SCHEMBL348729

Cc1nc(OC(C)C)cc(OC(C)C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.38
ALDH1A1 P00352 2/20 0.37
MCL1 Q07820 2/20 0.36
KMO O15229 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BTK Q06187 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL346514 0.86 IRAK4 (0.35) XDHALDH1A1KMOIRAK4MAPT
SCHEMBL347019 0.86 IRAK4 (0.44) IRAK4MAPTPOLBBTK
SCHEMBL378414 0.83 TLR8 (0.39) XDHALDH1A1MCL1KMOIRAK4
SCHEMBL347452 0.82 POLB (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL10352686 0.79 RXRA (0.37) XDHALDH1A1MCL1KMOIRAK4
SCHEMBL346611 0.75 KDM4E (0.46) ALDH1A1POLB
SCHEMBL2656280 0.73 KMT2A (0.52) XDHALDH1A1MCL1MAPTKMT2A
SCHEMBL378043 0.73 IRAK4 (0.44) ALDH1A1IRAK4POLB
SCHEMBL3723790 0.73 ALDH1A1 (0.40) XDHALDH1A1MCL1KMOIRAK4
SCHEMBL378132 0.71 ULK1 (0.37) ALDH1A1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2021-11-25 US disclosed
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2020-11-12 US disclosed
US-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2018-04-19 US disclosed
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2016-04-21 US disclosed
US-9199990-B2 Compounds for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2015-12-01 US disclosed
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (US) 2015-03-12 US disclosed
US-8889698-B2 Compounds for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2014-11-18 US disclosed
WO-2013156869-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 WO disclosed
US-20130281397-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2012-01-19 US disclosed
US-8053440-B2 Compounds for the prevention and treatment of cardiovascular diseases Resverlogix Corporation (CA) 2011-11-08 US disclosed
US-20080188467-A1 To regulate the expression of apolipoprotein A-I; atherosclerosis; improved pharmacological properties; 3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxyisoquinolin-1(2H)-one; to reduce cholesterol levels; agonists HEPALINK (HONG KONG) LIMITED (HK) 2008-08-07 US 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 (8 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-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 XDH 156/4885ALDH1A1 548/4885MCL1 2575/4885
US-20130281397-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION BRD4, BMI1, BRPF3 XDH 4400/4885ALDH1A1 4671/4885MCL1 15/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 XDH 156/4885ALDH1A1 548/4885MCL1 2575/4885
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 XDH 156/4885ALDH1A1 548/4885MCL1 2575/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 XDH 156/4885ALDH1A1 548/4885MCL1 2575/4885
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 XDH 156/4885ALDH1A1 548/4885MCL1 2575/4885
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 XDH 156/4885ALDH1A1 548/4885MCL1 2575/4885
US-20080188467-A1 To regulate the expression of apolipoprotein A-I; atherosclerosis; improved pharmacological properties; 3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxyisoquinolin-1(2H)-one; to reduce cholesterol levels; agonists APOB, LDLR, APOL1 XDH 1179/4885ALDH1A1 1784/4885MCL1 1722/4885

“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.