SCHEMBL1365133

SCHEMBL1365133

CCCCCCCC(=O)N=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.56
CES1 P23141 4/20 0.56
GPR84 Q9NQS5 7/20 0.54
PPARG P37231 7/20 0.54
PPARD Q03181 7/20 0.54
PPARA Q07869 7/20 0.54
HDAC11 Q96DB2 5/20 0.54
TSHR P16473 5/20 0.54
PTPN1 P18031 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TLR2 O60603 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
FABP4 P15090 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
MEN1 O00255 1/20 0.54
ESR1 P03372 1/20 0.54
ALOX15 P16050 1/20 0.54
PDE4A P27815 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL5127510 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL25526352 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL13903246 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL5126821 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL1257720 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL4803397 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL4802270 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL1367103 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL20648076 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL2401194 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP disclosed
WO-2017129772-A1 STABLE PHARMACEUTICAL COMPOSITIONS OF TEMSIROLIMUS XELLIA PHAMACEUTICALS APS (DK) 2017-08-03 WO disclosed
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
US-20160152957-A1 Methods of Producing 6-Carbon Monomers From 8-Carbon Compounds INVISTA NORTH AMERICA S.A.R.L. 2016-06-02 US disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 US disclosed
US-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 US disclosed
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 US disclosed
US-20110160246-A1 Neurodegenerative Protein Aggregation Inhibition Methods and Compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2011-06-30 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US disclosed
CN-1535137-A Cosmetic milky detergent 2004-10-06 CN 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-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 CES2 186/4885CES1 412/4885GPR84 3717/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 CES2 723/4885CES1 689/4885GPR84 4193/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 CES2 186/4885CES1 412/4885GPR84 3717/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 CES2 209/4885CES1 460/4885GPR84 3518/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 CES2 474/4885CES1 1300/4885GPR84 1460/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 CES2 810/4885CES1 1175/4885GPR84 2971/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 CES2 723/4885CES1 689/4885GPR84 4193/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 CES2 810/4885CES1 1175/4885GPR84 2971/4885

“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.