SCHEMBL5608734

SCHEMBL5608734

COC(=O)C=CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
NPSR1 Q6W5P4 1/20 0.36
NR1H4 Q96RI1 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL9129967 1.00 HCAR2 (0.48) HCAR2KEAP1NFE2L2NPSR1NR1H4
SCHEMBL9064096 1.00 HCAR2 (0.48) HCAR2KEAP1NFE2L2NPSR1NR1H4
SCHEMBL9129957 1.00 HCAR2 (0.48) HCAR2KEAP1NFE2L2NPSR1NR1H4
SCHEMBL38250 0.98 HCAR2 (0.50) HCAR2KEAP1NFE2L2NPSR1NR1H4
SCHEMBL38251 0.98 HCAR2 (0.50) HCAR2KEAP1NFE2L2NPSR1NR1H4
SCHEMBL26696282 0.94 HCAR2 (0.50) HCAR2KEAP1NFE2L2NR1H4
SCHEMBL29263941 0.89 HCAR2 (0.55) HCAR2KEAP1NFE2L2
SCHEMBL1718737 0.89
SCHEMBL1718738 0.89
SCHEMBL27325445 0.82 HCAR2 (0.43) HCAR2KEAP1NFE2L2NPSR1NR1H4

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
CN-1311012-C Surface treatment agent of acrylonitrile-butadiene-phenylethylene shaping object LEJIN ELECTRONIC TIANJIN ELEC (CN) 2007-04-18 CN claimed
CN-1442442-A Surface treatment agent of acrylonitrile-butadiene-phenylethylene shaping object LEJIN ELECTRONIC TIANJIN ELEC (CN) 2003-09-17 CN claimed
US-20180237441-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-08-23 US disclosed
EP-3350185-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2018-07-25 EP disclosed
WO-2017046737-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
CN-101193882-B N-Formyl Hydroxylamine Compounds as PDF Inhibitors NOVARTIS AG 2011-09-07 CN disclosed
CN-101333297-B Organic/inorganic hybrid material and method for forming the same IND TECH RES INST 2011-06-29 CN disclosed
CN-101395148-A N-formyl hydroxylamine compounds NOVARTIS AG (CH) 2009-03-25 CN disclosed
CN-101333297-A Organic/inorganic hybrid material and method for forming the same IND TECH RES INST (CN) 2008-12-31 CN disclosed
CN-101193882-A N-formyl hydroxylamine compounds as PDF inhibitors NOVARTIS AG (CH) 2008-06-04 CN disclosed
CN-1311012-C Surface treatment agent of acrylonitrile-butadiene-phenylethylene shaping object LEJIN ELECTRONIC TIANJIN ELEC (CN) 2007-04-18 CN disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 US disclosed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 EP disclosed
CN-1442442-A Surface treatment agent of acrylonitrile-butadiene-phenylethylene shaping object LEJIN ELECTRONIC TIANJIN ELEC (CN) 2003-09-17 CN disclosed
CN-1394240-A Organic coating covered steel sheet and manufacturing method thereof NIPPON KOKAN KK (JP) 2003-01-29 CN disclosed
US-5545666-A CARDIOVASCULAR DISORDERS, KIDNEY DISORDERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-08-13 US disclosed
EP-0666256-A1 PROSTAGLANDINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-08-09 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 (2 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-20180237441-A1 Chemical Compounds PSEN1, IRS1, CPT1A HCAR2 4097/4885KEAP1 101/4885NFE2L2 888/4885
US-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES HCAR2 3241/4885KEAP1 345/4885NFE2L2 187/4885

“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.