SCHEMBL3023192

SCHEMBL3023192

[CH2]CC(=O)c1ccc(OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.66
HDAC4 P56524 2/20 0.66
HDAC1 Q13547 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66
HDAC5 Q9UQL6 2/20 0.66
GSK3B P49841 1/20 0.66
MAPT P10636 2/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
PDE4B Q07343 1/20 0.58
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL9118933 0.84 MAPT (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL153386 0.83 ALDH1A1 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16552644 0.83 MMP1 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL505810 0.81 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1267569 0.81 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL459470 0.81 KMT2A (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
Ethylene SCHEMBL27986944 0.80 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31119870 0.80 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL182867 0.79 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5806919 0.79 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603202-A Synthesis method of pyrrolidine derivative substituted by 2-nitrogen heterocycle 浙江工业大学 2024-02-27 CN claimed
CN-117603202-A Synthesis method of pyrrolidine derivative substituted by 2-nitrogen heterocycle 浙江工业大学 2024-02-27 CN disclosed
US-11465960-B2 Labile esters of agrochemicals for controlled release and reduction of off-site movement MONSANTO TECHNOLOGY LLC (US) 2022-10-11 US disclosed
US-20200392063-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT MONSANTO TECHNOLOGY LLC (US) 2020-12-17 US disclosed
US-10793503-B2 Labile esters of agrochemicals for controlled release and reduction of off-site movement MONSANTO TECHNOLOGY LLC (US) 2020-10-06 US disclosed
US-20180258025-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT MONSANTO TECHNOLOGY LLC (US) 2018-09-13 US disclosed
CN-104271132-B Anticancer compounds targeting Ral gtpase and methods of using the same 科罗拉多大学董事会法人团体 2018-01-12 CN disclosed
US-20170029355-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT MONSANTO TECHNOLOGY LLC 2017-02-02 US disclosed
US-9402396-B2 Labile esters of agrochemicals for controlled release and reduction of off-site movement MONSANTO TECHNOLOGY LLC (US) 2016-08-02 US disclosed
CN-104557738-A Green synthesis method of 4(3H)-quinazolinone UNIV HUNAN 2015-04-29 CN disclosed
CN-1391562-A Quinazoline derivatives as medicaments ASTRAZENECA AB (SE) 2003-01-15 CN disclosed
CN-1384100-A Benzo-1,3-dioxole and benzofuran substituted pentazane derivative ABBOTT CO (US) 2002-12-11 CN disclosed
CN-1091768-C Novel benzo-1, 3-dioxolyl-and benzofuranyl-substituted pyrrolidine derivatives as endothelin antagonists ABBOTT LAB CO (US) 2002-10-02 CN disclosed
CN-1219172-A Novel benzo-1, 3-dioxolyl-and benzofuranyl-substituted pyrrolidine derivatives as endothelin antagonists ABBOTT LAB CO (US) 1999-06-09 CN disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4472403-A Quinoline derivatives and pharmaceutical compositions and methods for treating cardiovascular disease with such compounds A.C.F. CHEMIEFARMA N.V. (NL) 1984-09-18 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
EP-0030044-A1 Quinoline derivatives, processes for their preparation, their use, pharmaceutical compositions containing them and a method for the preparation of these pharmaceutical compositions ACF CHEMIEFARMA NV (NL) 1981-06-10 EP disclosed
US-3932423-A TREATMENT OF PSYCHOLOGICAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES (JA) 1976-01-13 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 (5 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-11465960-B2 Labile esters of agrochemicals for controlled release and reduction of off-site movement APEH, GUSB, CES2 HDAC3 741/4885HDAC4 1004/4885HDAC1 1021/4885
US-20200392063-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT APEH, GUSB, CES2 HDAC3 741/4885HDAC4 1004/4885HDAC1 1021/4885
US-20170029355-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT APEH, GUSB, CES2 HDAC3 741/4885HDAC4 1004/4885HDAC1 1021/4885
US-10793503-B2 Labile esters of agrochemicals for controlled release and reduction of off-site movement APEH, GUSB, CES2 HDAC3 741/4885HDAC4 1004/4885HDAC1 1021/4885
US-20180258025-A1 LABILE ESTERS OF AGROCHEMICALS FOR CONTROLLED RELEASE AND REDUCTION OF OFF-SITE MOVEMENT APEH, GUSB, CES2 HDAC3 741/4885HDAC4 1004/4885HDAC1 1021/4885

“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.