SCHEMBL7477065

SCHEMBL7477065

c1ccc(C2CCCOC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TRPA1 O75762 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
TACR1 P25103 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL14849768 1.00 SLC18A3 (0.42) SLC18A3SIGMAR1TSHRGAAMAPT
SCHEMBL27967916 0.94 SLC18A3 (0.42) SLC18A3SIGMAR1TSHRGAAMAPT
SCHEMBL23483033 0.89 PRKAB2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2479517 0.87 SLC18A3 (0.45) SLC18A3SIGMAR1TSHRGAAMAPT
SCHEMBL23050200 0.87 SLC18A3 (0.45) SLC18A3SIGMAR1TSHRGAAMAPT
SCHEMBL14849673 0.84 KDM1A (0.44) TSHRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19094052 0.83 SLC18A3 (0.47) SLC18A3SIGMAR1TSHRGAAMAPT
SCHEMBL15300702 0.80 HTR3A (0.47) SLC18A3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25249799 0.80 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10553055 0.80 SMN1; SMN2 (0.40) SLC18A3TSHRMAPTPRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540107-A 2002-11-26 JP claimed
EP-1165540-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2002-01-02 EP claimed
WO-2000056727-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2000-09-28 WO claimed
CN-114437000-A Method for preparing cyclic ether by dehydrating and cyclizing diol 中国科学院化学研究所 2022-05-06 CN disclosed
CN-111440132-B Novel method for preparing oxygen heterocyclic compound by ionic liquid catalysis 中国科学院化学研究所 2022-02-01 CN disclosed
CN-107408734-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-08-18 CN disclosed
CN-111440132-A Novel method for preparing oxygen heterocyclic compound by ionic liquid catalysis 中国科学院化学研究所 2020-07-24 CN disclosed
EP-3273520-B1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE SECONDARY CELL IN WHICH SAME IS USED MITSUBISHI CHEM CORP (JP) 2020-05-06 EP disclosed
CN-107078352-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-28 CN disclosed
US-10424812-B2 Non-aqueous electrolytic solution and non-aqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-09-24 US disclosed
US-10424813-B2 Non-aqueous electrolyte solution and non-aqueous electrolyte secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-09-24 US disclosed
US-9593280-B2 Liquid crystal display device DIC CORPORATION (JP) 2017-03-14 US disclosed
US-8765751-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-01 US disclosed
US-20130089624-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
EP-1165540-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2002-01-02 EP disclosed
WO-2000056728-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2000-09-28 WO disclosed
WO-2000056727-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2000-09-28 WO disclosed
EP-0294220-B1 Photopolymerizable composition HITACHI CHEMICAL CO LTD (JP) 1994-05-25 EP disclosed
US-5034429-A An unsaturated monomer, a photoinitiator and a benzene derivative for providing a cured film HITACHI CHEMICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0294220-A2 Photopolymerizable composition Hitachi Chemical Co., Ltd. (JP) 1988-12-07 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 (1 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-20130089624-A1 Compounds Useful as Inhibitors of ATR Kinase ATR, CHEK1, PLK1 SLC18A3 1971/4885SIGMAR1 3443/4885TSHR 3594/4885

“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.