SCHEMBL289936

SCHEMBL289936

CC(C)(C)OC(=O)n1[c]cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
BCHE P06276 1/20 0.41
NR1H3 Q13133 3/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36

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
SCHEMBL4919212 0.82 L3MBTL1 (0.41) BCHEL3MBTL1
SCHEMBL27745025 0.81 GPR119 (0.39) NR1H2GPR119L3MBTL1
SCHEMBL27766001 0.81 GPR119 (0.39) NR1H2GPR119L3MBTL1
SCHEMBL27745027 0.80 HDAC1 (0.35) NR1H2GPR119
SCHEMBL27685900 0.80 MEN1 (0.44) L3MBTL1
SCHEMBL475285 0.80 NPC1 (0.41) NR1H2NR1H3GPR119L3MBTL1
SCHEMBL28993218 0.80 KDM4E (0.38) NR1H2NR1H3GPR119
SCHEMBL27666917 0.80 MEN1 (0.44) L3MBTL1
SCHEMBL4919206 0.79 TSHR (0.44) BCHEL3MBTL1
SCHEMBL3339817 0.79 ALDH1A1 (0.42) NR1H2GPR119L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276411-B Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2024-02-09 CN claimed
CN-109748841-B Method for catalyzing asymmetric synthesis of chiral beta-aminoketone derivative 浙江工业大学 2021-06-01 CN claimed
US-8865655-B2 Depsipeptides and their therapeutic use KARUS THERAPEUTICS LIMITED (GB) 2014-10-21 US claimed
EP-2089416-B1 DEPSIPEPTIDES AND THEIR THERAPEUTIC USE UNIV SOUTHAMPTON (GB) 2014-02-26 EP claimed
EP-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP claimed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO claimed
US-20100056434-A1 Depsipeptides and Their Therapeutic Use UNIVERSITY OF SOUTHAMPTON (GB) 2010-03-04 US claimed
US-20100056435-A1 Depsipeptides and Their Therapeutic Use KARUS THERAPEUTICS LIMITED (GB) 2010-03-04 US claimed
EP-2089415-A1 DEPSIPEPTIDES AND THEIR THERAPEUTIC USE Karus Therapeutics Limited (GB) 2009-08-19 EP claimed
EP-2089416-A1 DEPSIPEPTIDES AND THEIR THERAPEUTIC USE UNIVERSITY OF SOUTHAMPTON (GB) 2009-08-19 EP claimed
WO-2008062201-A1 DEPSIPEPTIDES AND THEIR THERAPEUTIC USE KARUS THERAPEUTICS LIMITED (GB) 2008-05-29 WO claimed
WO-2008062232-A1 DEPSIPEPTIDES AND THEIR THERAPEUTIC USE UNIVERSITY OF SOUTHAMPTON (GB) 2008-05-29 WO claimed
US-20060189549-A1 Chalcone derivatives and their use to treat diseases NI LIMING 2006-08-24 US claimed
JP-2005516941-A 2005-06-09 JP claimed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 EP claimed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP claimed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US claimed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 WO claimed
CN-114276411-B Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2024-02-09 CN disclosed
US-5859007-A TREATMENT OF DIABETES, OBESITY GLAXO WELLCOME INC. (US) 1999-01-12 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 (4 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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 NR1H2 83/4885CHRM2 3773/4885CHRM4 4283/4885
US-20100056435-A1 Depsipeptides and Their Therapeutic Use HDAC3, HDAC6, HDAC7 NR1H2 1021/4885CHRM2 718/4885CHRM4 956/4885
US-20100056434-A1 Depsipeptides and Their Therapeutic Use HDAC11, HDAC1, HDAC6 NR1H2 597/4885CHRM2 3804/4885CHRM4 4263/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 NR1H2 94/4885CHRM2 3357/4885CHRM4 4191/4885

“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.