SCHEMBL4492563

SCHEMBL4492563

CCCCOCC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CES1 P23141 1/20 0.43
CYP3A4 P08684 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
GBA2 Q9HCG7 2/20 0.35
CES2 O00748 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13106440 0.95 TSHR (0.48) TSHRCES1CYP3A4ADRB2ADRB1
SCHEMBL28484349 0.95 TSHR (0.48) TSHRCES1CYP3A4ADRB2ADRB1
SCHEMBL4494245 0.92 CES1 (0.52) TSHRCES1MEN1THRBHTT
SCHEMBL534064 0.90 CES1 (0.55) TSHRCES1MEN1THRBHTT
SCHEMBL4506308 0.90 CES1 (0.55) TSHRCES1MEN1THRBHTT
SCHEMBL4491457 0.90 CES1 (0.55) TSHRCES1MEN1THRBHTT
SCHEMBL4483157 0.90 CES1 (0.55) TSHRCES1MEN1THRBHTT
SCHEMBL4489271 0.90 CES1 (0.55) TSHRCES1MEN1THRBHTT
SCHEMBL4491774 0.90 CES1 (0.55) TSHRCES1MEN1THRBHTT
SCHEMBL4488321 0.90 CES1 (0.55) TSHRCES1MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171326-A1 METHOD FOR PRODUCING ALKENE 株式会社クレハ 2023-09-14 WO disclosed
WO-2023171325-A1 METHOD FOR PRODUCING ALKENE 株式会社クレハ 2023-09-14 WO disclosed
US-11708353-B2 Inhibitors of prolyl-tRNA-synthetase THE GENERAL HOSPITAL CORPORATION (US) 2023-07-25 US disclosed
US-11186531-B2 Production method for alkene KUREHA CORPORATION (JP) 2021-11-30 US disclosed
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
US-20210047252-A1 PRODUCTION METHOD FOR ALKENE KUREHA CORPORATION (JP) 2021-02-18 US disclosed
CN-111712480-A Process for producing chain olefin 株式会社吴羽 2020-09-25 CN disclosed
WO-2019176151-A1 PRODUCTION METHOD FOR ALKENE 株式会社クレハ 2019-09-19 WO disclosed
US-20180179242-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. 2018-06-28 US disclosed
US-9951096-B2 Catalysts and methods for polymer synthesis SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2018-04-24 US disclosed
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2011-06-23 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE ADOLOR CORPORATION (US) 2010-07-01 US disclosed
US-20100144969-A1 ISOSELECTIVE POLYMERIZATION OF EPOXIDES CORNELL UNIVERSITY (US) 2010-06-10 US disclosed
US-7671052-B2 Phenyl derivatives and methods of use ADOLOR CORPORATION (US) 2010-03-02 US disclosed
US-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2009-12-24 US disclosed
US-7601746-B2 Compounds exhibiting thrombopoietin receptor agonism SHIONOGI & CO., LTD. (JP) 2009-10-13 US disclosed
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid EDDINGPHARM (HONG KONG) COMPANY LIMITED (CN) 2007-02-22 US disclosed
CN-1863783-A Compounds with Thrombopoietin Receptor Agonism SHIONOGI & CO (JP) 2006-11-15 CN disclosed
EP-1655291-A1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. (JP) 2006-05-10 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 (10 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-20100144969-A1 ISOSELECTIVE POLYMERIZATION OF EPOXIDES EPHX2, EPHX1, GNE TSHR 4879/4885CES1 1058/4885CYP3A4 58/4885
US-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM MPL, TEK, GHRHR TSHR 9/4885CES1 1766/4885CYP3A4 1949/4885
US-20210047252-A1 PRODUCTION METHOD FOR ALKENE ALK, ALKBH3, ALKBH1 TSHR 3005/4885CES1 352/4885CYP3A4 113/4885
US-11708353-B2 Inhibitors of prolyl-tRNA-synthetase GARS1, AARS1, NSUN3 TSHR 2024/4885CES1 633/4885CYP3A4 3510/4885
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid DHFR, NAT1, ACR TSHR 757/4885CES1 322/4885CYP3A4 659/4885
US-20180179242-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 TSHR 4849/4885CES1 1268/4885CYP3A4 174/4885
US-11186531-B2 Production method for alkene ALK, ALKBH3, ALKBH1 TSHR 3005/4885CES1 352/4885CYP3A4 113/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 TSHR 116/4885CES1 99/4885CYP3A4 170/4885
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 TSHR 4849/4885CES1 1268/4885CYP3A4 174/4885
US-20100168108-A1 PHENYL DERIVATIVES AND METHODS OF USE CNR2, CNR1, GPR119 TSHR 1931/4885CES1 1733/4885CYP3A4 1925/4885

“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.