SCHEMBL5613631

SCHEMBL5613631

BrCCCCCCCCCCCCI

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL2733949 1.00
SCHEMBL21483911 1.00 TSHR (0.33) TSHR
SCHEMBL3679955 1.00 TSHR (0.33) TSHR
SCHEMBL20210411 1.00
SCHEMBL21483963 1.00 TSHR (0.33) TSHR
SCHEMBL2734269 1.00 TSHR (0.33) TSHR
SCHEMBL2734647 1.00
SCHEMBL2733745 0.96
SCHEMBL4092325 0.85 TSHR (0.44) TSHR
SCHEMBL1318970 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380673-B Dialkoxy alkenyl alkoxy methyl ether compound and method for preparing terminal conjugated alkadiene aldehyde compound from same 信越化学工业株式会社 2024-09-13 CN disclosed
CN-110386855-B 1-halodiene and process for preparing it and (9E, 111Z) -9, 11-hexadecadienylacetate 信越化学工业株式会社 2023-03-28 CN disclosed
CN-114380673-A Dialkoxyalkenylalkoxymethyl ether compounds and process for producing conjugated alkadienal compounds from the same 信越化学工业株式会社 2022-04-22 CN disclosed
CN-114380689-A Haloalkenylalkoxymethyl ethers and processes for preparing terminally conjugated alkadien-1-yl acetates and alkadien-1-ols therefrom 信越化学工业株式会社 2022-04-22 CN disclosed
EP-3556742-B1 1-HALOALKADIENE AND PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING (9E,11Z)-9,11-HEXADECADIENYL ACETATE SHINETSU CHEMICAL CO (JP) 2021-07-14 EP disclosed
US-10737999-B2 1-haloalkadiene and a process for preparing the same and a process for preparing (9e, 11z)-9,11-hexadecadienyl acetate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-08-11 US disclosed
US-20190322614-A1 1-HALOALKADIENE AND A PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING (9e, 11z)-9,11-HEXADECADIENYL ACETATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-10-24 US disclosed
EP-3556742-A1 1-HALOALKADIENE AND PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING (9E,11Z)-9,11-HEXADECADIENYL ACETATE Shin-Etsu Chemical Co., Ltd. (JP) 2019-10-23 EP disclosed
US-20070270521-A1 Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
CN-101024659-A Transition metal compound, polymerization initiator system including same and polymer production method SUMITOMO CHEMICAL CO (JP) 2007-08-29 CN 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-20070270521-A1 Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer CARM1, CPN1, CCNT1 TSHR 4291/4885
US-20190322614-A1 1-HALOALKADIENE AND A PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING (9e, 11z)-9,11-HEXADECADIENYL ACETATE CYP8B1, HDHD5, HACL2 TSHR 2265/4885
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency CFTR, ABCD3, ABCC2 TSHR 2243/4885
US-10737999-B2 1-haloalkadiene and a process for preparing the same and a process for preparing (9e, 11z)-9,11-hexadecadienyl acetate CYP8B1, HDHD5, HACL2 TSHR 2265/4885

“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.