SCHEMBL246234

SCHEMBL246234

NC(=O)COc1ccc(C=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPK1 P28482 1/20 0.54
PARP10 Q53GL7 1/20 0.53
PARP3 Q9Y6F1 1/20 0.53
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 2/20 0.49
TBXAS1 P24557 1/20 0.48
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL10506137 0.85 MEN1 (0.58) ALDH1A1MAPK1PARP10KDM4EHPGD
SCHEMBL15798252 0.85 MAPK1 (0.51) ALDH1A1MAPK1KDM4EHPGDPOLB
SCHEMBL349060 0.82 ALOX15 (0.61) ALDH1A1KMT2AMEN1
SCHEMBL2559135 0.82 ALDH1A1 (0.63) ALDH1A1PARP10PARP3KDM4EKMT2A
SCHEMBL2558719 0.81 ALDH1A1 (0.51) ALDH1A1PARP10PARP3KDM4EHPGD
SCHEMBL12517065 0.81 ALDH1A1 (0.54) ALDH1A1PARP10PARP3KDM4EHPGD
SCHEMBL20391698 0.81 ALDH1A1 (0.53) ALDH1A1PARP10PARP3KDM4EHPGD
SCHEMBL12477808 0.81 ALDH1A1 (0.53) ALDH1A1PARP10PARP3KDM4EHPGD
SCHEMBL2285133 0.79 MAOA (0.55) ALDH1A1KDM4ETDP1RAB9A
Formic Acid SCHEMBL6318503 0.78 MAPT (0.53) ALDH1A1MAPK1PARP10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
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
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2018-04-19 US disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2016-04-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO 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-0777492-B1 COMBINATORIAL LIBRARIES OF SUBSTRATE-BOUND CYCLIC ORGANIC COMPOUNDS CHIRON CORP (US) 2005-01-19 EP disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-5958792-A DERIVATIZING SOLID SUPPORT SURFACES WITH A GROUP CONSISTING OF O AND NH TO PROVIDE PLURALITY OF DERIVATIZED SUPPORT SURFACES, DIVIDING THEM INTO SUBAMOUNTS, REACTING DIFFERENT SUBMONOMER WITH ACTIVE GROUP OF SUBAMOUNT, RECOMBINING CHIRON CORPORATION (US) 1999-09-28 US disclosed
US-5135928-A Treating angina, gastrointesinal disorders; antiinflammatory agents; antiulcer, analgesics; sedatives EGIS GYOGYSZERGYAR (HU) 1992-08-04 US disclosed
EP-0425282-A2 Triazolo derivatives and process for their preparation EGIS GYOGYSZERGYAR (HU) 1991-05-02 EP 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-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885MAPK1 2164/4885PARP10 3866/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885MAPK1 2164/4885PARP10 3866/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885MAPK1 2164/4885PARP10 3866/4885
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885MAPK1 2164/4885PARP10 3866/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB ALDH1A1 578/4885MAPK1 1483/4885PARP10 3185/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC ALDH1A1 1442/4885MAPK1 2376/4885PARP10 1547/4885
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 1784/4885MAPK1 1739/4885PARP10 2907/4885

“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.