SCHEMBL23038697

SCHEMBL23038697

C=CC#CC(OCC)OCC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
LMNA P02545 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
SCHEMBL23038713 0.82
SCHEMBL23038693 0.79 TSHR (0.34)
SCHEMBL4706647 0.76 THRB (0.33) THRBLMNA
SCHEMBL9308076 0.73 THRB (0.31) THRB
SCHEMBL9308078 0.73 THRB (0.31) THRB
SCHEMBL9308187 0.73 THRB (0.31) THRB
SCHEMBL23038737 0.72
SCHEMBL8685281 0.72 THRB (0.38) THRBLMNA
SCHEMBL9309202 0.71
SCHEMBL9309752 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3789376-B1 DIALKOXYALKADIENYNE COMPOUND AND A PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING A DIENYNAL COMPOUND SHINETSU CHEMICAL CO (JP) 2022-03-23 EP disclosed
EP-3789375-B1 PROCESS FOR PREPARING 4-PENTEN-2-YNAL SHINETSU CHEMICAL CO (JP) 2022-03-02 EP disclosed
US-11148989-B2 Dialkoxyalkadienyne compound and a process for preparing the same and a process for preparing a dienynal compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-10-19 US disclosed
EP-3789375-A1 PROCESS FOR PREPARING 4-PENTEN-2-YNAL Shin-Etsu Chemical Co., Ltd. (JP) 2021-03-10 EP disclosed
EP-3789376-A1 DIALKOXYALKADIENYNE COMPOUND AND A PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING A DIENYNAL COMPOUND Shin-Etsu Chemical Co., Ltd. (JP) 2021-03-10 EP disclosed
CN-112441895-A Dialkoxyl alkadienyne compound, preparation method thereof and preparation method of diene alkynal compound 信越化学工业株式会社 2021-03-05 CN disclosed
CN-112441894-A Method for preparing 4-pentene-2-alkynal 信越化学工业株式会社 2021-03-05 CN disclosed
US-20210061744-A1 DIALKOXYALKADIENYNE COMPOUND AND A PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING A DIENYNAL COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-03-04 US disclosed
US-20210061745-A1 PROCESS FOR PREPARING 4-PENTEN-2-YNAL SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-03-04 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 (3 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-11148989-B2 Dialkoxyalkadienyne compound and a process for preparing the same and a process for preparing a dienynal compound DOHH, HRH1, HRH2 THRB 3348/4885LMNA 2104/4885
US-20210061745-A1 PROCESS FOR PREPARING 4-PENTEN-2-YNAL ORC3, OR10J3, OXER1 THRB 1935/4885LMNA 2765/4885
US-20210061744-A1 DIALKOXYALKADIENYNE COMPOUND AND A PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING A DIENYNAL COMPOUND DOHH, HRH1, HRH3 THRB 3289/4885LMNA 2116/4885

“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.