Sugi Predict

Sugi Predict / Compounds / SCHEMBL6766102

SCHEMBL6766102

SCHEMBL6766102

CCCCC(/C=C(\C)C=O)CC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CTSK P43235 4/20 0.37
▸ CA2 P00918 7/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CA1 P00915 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ FDPS P14324 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ DDAH1 O94760 1/20 0.32
▸ GAPDH P04406 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL6766108 1.00 TSHR (0.57) TSHRSMN1; SMN2CTSKCA2PTPN1
SCHEMBL23412209 0.83 PTPN1 (0.39) TSHRSMN1; SMN2PTPN1GAPDH
SCHEMBL23412207 0.83 PTPN1 (0.39) TSHRSMN1; SMN2PTPN1GAPDH
SCHEMBL6910847 0.79 TSHR (0.54) TSHRSMN1; SMN2CTSKCA2MAPK1
SCHEMBL1188285 0.78 TSHR (0.55) TSHRSMN1; SMN2CTSKCA2MAPK1
SCHEMBL1188283 0.78 TSHR (0.55) TSHRSMN1; SMN2CTSKCA2MAPK1
SCHEMBL1785032 0.78 TSHR (0.39) TSHRSMN1; SMN2CTSKCA2PTPN1
SCHEMBL1785030 0.78 TSHR (0.39) TSHRSMN1; SMN2CTSKCA2PTPN1
SCHEMBL28107417 0.77 TSHR (0.53) TSHRSMN1; SMN2CTSKCA2MAPK1
Acetone SCHEMBL21110874 0.75 TSHR (0.83) TSHRSMN1; SMN2CTSKCA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162447-A1 2-methyl-4-ethyl-2-octene-1-aldehyde MARKERT THOMAS (DE) 2004-08-19 — — US claimed
CN-111601786-B Branched trialkylamine precursors, intermediates, products made therefrom and methods of making 伊士曼化工公司 2024-03-12 — — CN disclosed
US-10961180-B2 Branched trialkyl amine oxides EASTMAN CHEMICAL COMPANY (US) 2021-03-30 — — US disclosed
US-10961180-B2 Branched trialkyl amine oxides EASTMAN CHEMICAL COMPANY (US) 2021-03-30 — — US disclosed
EP-3737662-A1 BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE Eastman Chemical Company (US) 2020-11-18 — — EP disclosed
CN-111601786-A Branched trialkylamine precursors, intermediates, products made therefrom, and methods of making 伊士曼化工公司 2020-08-28 — — CN disclosed
US-10640452-B2 Branched trialkyl quaternary ammonium compounds EASTMAN CHEMICAL COMPANY (US) 2020-05-05 — — US disclosed
US-10640452-B2 Branched trialkyl quaternary ammonium compounds EASTMAN CHEMICAL COMPANY (US) 2020-05-05 — — US disclosed
US-20190218171-A1 BRANCHED TRIALKYL QUATERNARY AMMONIUM COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2019-07-18 — — US disclosed
US-20190218169-A1 BRANCHED TRIALKYL AMINE OXIDES EASTMAN CHEMICAL COMPANY (US) 2019-07-18 — — US disclosed
US-20190218169-A1 BRANCHED TRIALKYL AMINE OXIDES EASTMAN CHEMICAL COMPANY (US) 2019-07-18 — — US disclosed
US-20190218171-A1 BRANCHED TRIALKYL QUATERNARY AMMONIUM COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2019-07-18 — — US disclosed
US-20190218170-A1 BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE EASTMAN CHEMICAL COMPANY (US) 2019-07-18 — — US disclosed
US-20190218170-A1 BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE EASTMAN CHEMICAL COMPANY (US) 2019-07-18 — — US disclosed
US-20040162447-A1 2-methyl-4-ethyl-2-octene-1-aldehyde MARKERT THOMAS (DE) 2004-08-19 — — US disclosed
US-20040162447-A1 2-methyl-4-ethyl-2-octene-1-aldehyde MARKERT THOMAS (DE) 2004-08-19 — — US disclosed
US-20040162447-A1 2-methyl-4-ethyl-2-octene-1-aldehyde MARKERT THOMAS (DE) 2004-08-19 — — US disclosed
EP-1390335-A1 2-METHYL-4-ETHYL-2-OCTENE-1-ALDEHYDE Kao Corporation (JP) 2004-02-25 — — EP disclosed
WO-2002070448-A1 2-METHYL-4-ETHYL-2-OCTENE-1-ALDEHYDE COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2002-09-12 — — WO 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 (6 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-20190218169-A1 BRANCHED TRIALKYL AMINE OXIDES C5, OR10J3, ALKBH5 TSHR 2779/4885SMN1; SMN2 1079/4885CTSK 4400/4885
US-20190218171-A1 BRANCHED TRIALKYL QUATERNARY AMMONIUM COMPOUNDS ELOVL3, ELOVL5, ALK TSHR 3683/4885SMN1; SMN2 4250/4885CTSK 2790/4885
US-20040162447-A1 2-methyl-4-ethyl-2-octene-1-aldehyde ADH1A, ALDH1A1, ADH5 TSHR 4696/4885SMN1; SMN2 2457/4885CTSK 3684/4885
US-10640452-B2 Branched trialkyl quaternary ammonium compounds BCKDK, PFKL, GLUL TSHR 3735/4885SMN1; SMN2 3404/4885CTSK 1847/4885
US-20190218170-A1 BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE ACADM, ALK, FASN TSHR 2579/4885SMN1; SMN2 3502/4885CTSK 1529/4885
US-10961180-B2 Branched trialkyl amine oxides C5, OR10J3, ALKBH5 TSHR 2779/4885SMN1; SMN2 1079/4885CTSK 4400/4885

“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.