SCHEMBL312237

SCHEMBL312237

COc1ccc(C#Cc2ccccc2C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
APP P05067 2/20 0.47
KCNH2 Q12809 1/20 0.45
SLC16A3 O15427 1/20 0.43
CYP2A6 P11509 1/20 0.43
FFAR1 O14842 2/20 0.41
POLB P06746 2/20 0.40
ERN1 O75460 1/20 0.40
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL30134856 1.00 ALDH1A1 (0.53) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL31587369 0.86 MEN1 (0.50) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL9881727 0.84 ERN1 (0.51) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4765815 0.81 ERN1 (0.49) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL193992 0.81 KMT2A (0.50) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL7601226 0.80 APP (0.44) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4770735 0.79 APP (0.42) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL31588086 0.78 CA1 (0.47) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL15896014 0.78 ALDH1A1 (0.47) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL28544000 0.78 TDP1 (0.41) ALDH1A1LMNACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903053-A Synthesis method and application of diaryl azepine compound 河南工业大学 2024-04-19 CN claimed
CN-117903053-A Synthesis method and application of diaryl azepine compound 河南工业大学 2024-04-19 CN disclosed
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2021-11-25 US disclosed
CN-109810112-B Preparation method of indolo [2,1-a ] phthalazine derivative 华侨大学 2021-03-23 CN disclosed
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2020-11-12 US disclosed
CN-109810112-A A kind of preparation method of indoles simultaneously [2,1-a] phthalazine derivatives 华侨大学 2019-05-28 CN disclosed
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 US disclosed
EP-3328846-A1 NOVEL COMPOUNDS EXHIBITING PHOTOPHYSICAL PROPERTIES UPON FORMATION OF LEWIS ACID-BASE ADDUCTS USING NON-CHELATING BORANES, METHOD FOR PRODUCING THE SAME AND DEVICES INCLUDING THE SAME Universität Heidelberg (DE) 2018-06-06 EP disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
EP-2314295-A1 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices Resverlogix, Inc (CA) 2011-04-27 EP disclosed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 US disclosed
CN-101365446-A Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery via implantable medical devices RESVERLOGIX CORP (CA) 2009-02-11 CN 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
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
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 (7 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 ALDH1A1 1211/4885LMNA 345/4885CYP1A2 355/4885
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC ALDH1A1 2225/4885LMNA 4670/4885CYP1A2 3967/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 ALDH1A1 1211/4885LMNA 345/4885CYP1A2 355/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885LMNA 489/4885CYP1A2 1243/4885
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices VCAM1, ICAM1, TGFB1 ALDH1A1 893/4885LMNA 1518/4885CYP1A2 3340/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885LMNA 489/4885CYP1A2 1243/4885
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 ALDH1A1 1784/4885LMNA 993/4885CYP1A2 992/4885

“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.