SCHEMBL51139

SCHEMBL51139

O=C(O)CCP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
FOLH1 Q04609 1/20 0.52
CETP P11597 3/20 0.51
KEAP1 Q14145 1/20 0.47
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 1/20 0.46
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL4839007 0.90 TSHR (0.53) TSHRFOLH1CETPKEAP1FFAR1
SCHEMBL31308108 0.88 CETP (0.55) TSHRFOLH1CETPKEAP1FFAR1
SCHEMBL30887317 0.87 CETP (0.57) TSHRFOLH1CETPKEAP1FFAR1
SCHEMBL23710533 0.83 FOLH1 (0.54) TSHRFOLH1CETPKEAP1FFAR1
SCHEMBL7860305 0.82 FOLH1 (0.67) TSHRFOLH1CETP
SCHEMBL5028595 0.81 TSHR (0.60) TSHRCETPALDH1A1
SCHEMBL413304 0.81 TSHR (0.60) TSHRFOLH1CETPMAPK1SLC6A3
SCHEMBL23710506 0.80 CETP (0.54) TSHRFOLH1CETPKEAP1FFAR1
SCHEMBL21811949 0.80 LMNA (0.56) TSHRHDAC3MAPK1HDAC4HDAC1
SCHEMBL7301581 0.79 TSHR (0.57) TSHRCETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2024-02-29 US disclosed
WO-2023177976-A2 NUCLEIC ACID CROSSLINKING REAGENTS AND USES THEREOF PROMEGA CORPORATION (US) 2023-09-21 WO disclosed
CN-116601307-A Nucleic acid modification reagent and use thereof 普罗美加公司 2023-08-15 CN disclosed
CN-115385875-A Taxol derivative and preparation method and application thereof 中国药科大学 2022-11-25 CN disclosed
US-20220064710-A1 NUCLEIC ACID MODIFYING REAGENTS AND USES THEREOF PROMEGA CORPORATION 2022-03-03 US disclosed
US-20120309717-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP EISAI INC. (US) 2012-12-06 US disclosed
EP-1633362-B1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP EISAI INC (US) 2012-09-26 EP disclosed
US-8129382-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. (US) 2012-03-06 US disclosed
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP EISAI INC. (US) 2010-10-07 US disclosed
US-7750008-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. (US) 2010-07-06 US disclosed
US-20090298837-A1 poly(ADP-ribose) polymerase (PARP) inhibitors such as 9-[(Hydrozinooxy)carbonyl]-2,7-dihydro-6-methoxy 3H-pyrido-[4,3,2-de]phthalazin-3-one, used for treating neuron tissue damage resulting from ischemia and reperfusion injury, depression, inflammatory bowel disorders, arthritis, gout, pain and sepsis EISAI CORPORATION OF NORTH AMERICA (US) 2009-12-03 US disclosed
US-7601719-B2 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme EISAI CORPORATION OF NORTH AMERICA (US) 2009-10-13 US disclosed
US-20090088407-A1 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme MGI GP, INC. (US) 2009-04-02 US disclosed
US-7456178-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2008-11-25 US disclosed
EP-1633362-A4 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP INC (US) 2008-08-27 EP disclosed
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP, INC. (US) 2008-03-06 US disclosed
US-7268138-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2007-09-11 US disclosed
EP-1633362-A2 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP, Inc. (US) 2006-03-15 EP disclosed
US-20050020595-A1 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. 2005-01-27 US disclosed
WO-2004105700-A2 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP GUILDFORD PHARMACEUTICALS, INC. (US) 2004-12-09 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 (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-20090298837-A1 poly(ADP-ribose) polymerase (PARP) inhibitors such as 9-[(Hydrozinooxy)carbonyl]-2,7-dihydro-6-methoxy 3H-pyrido-[4,3,2-de]phthalazin-3-one, used for treating neuron tissue damage resulting from ischemia and reperfusion injury, depression, inflammatory bowel disorders, arthritis, gout, pain and sepsis PARP1, PARP2, NLRP3 TSHR 4438/4885FOLH1 305/4885CETP 4662/4885
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 TSHR 4816/4885FOLH1 1814/4885CETP 1567/4885
US-20050020595-A1 Compounds, methods and pharmaceutical compositions for inhibiting PARP PARP1, PARP2, PARP3 TSHR 4812/4885FOLH1 1788/4885CETP 1494/4885
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES TLR7, MALT1, PNPO TSHR 1647/4885FOLH1 2589/4885CETP 2876/4885
US-20120309717-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 TSHR 4812/4885FOLH1 1788/4885CETP 1494/4885
US-20090088407-A1 Administering temozolomide; poly/adp-ribose/polymerase (PARP) inhibitors; melanoma, lymphoma, glioblastoma multiforme PARP1, PARP2, PARP11 TSHR 4277/4885FOLH1 2443/4885CETP 3748/4885
US-20100256095-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 TSHR 4812/4885FOLH1 1788/4885CETP 1494/4885
US-20220064710-A1 NUCLEIC ACID MODIFYING REAGENTS AND USES THEREOF POLRMT, NSUN2, ADAR TSHR 3056/4885FOLH1 942/4885CETP 2500/4885

“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.