SCHEMBL12759165

SCHEMBL12759165

CCOC(CCCCCCCCI)OCC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
SMPD1 P17405 3/20 0.32
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
SCHEMBL28326182 1.00 THRB (0.33) THRBSMPD1LMNA
SCHEMBL29992187 1.00 THRB (0.33) THRBSMPD1LMNA
SCHEMBL7928503 0.87 THRB (0.42) THRBSMPD1LMNA
SCHEMBL7937407 0.87 THRB (0.42) THRBSMPD1LMNA
SCHEMBL8431364 0.87 THRB (0.42) THRBSMPD1LMNA
SCHEMBL7936833 0.87 THRB (0.42) THRBSMPD1LMNA
SCHEMBL7937409 0.87 THRB (0.42) THRBSMPD1LMNA
SCHEMBL7753817 0.84 THRB (0.44) THRBSMPD1LMNA
SCHEMBL28851136 0.84
SCHEMBL29992189 0.84 FAAH (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113831232-B Preparation method of (9Z, 11E) -9, 11-hexadecadienal 信越化学工业株式会社 2024-04-09 CN disclosed
CN-112441895-B Dialkoxy alkadienyne compound, preparation method thereof and preparation method of dialkoxy alkadienyne aldehyde compound 信越化学工业株式会社 2024-01-23 CN disclosed
EP-3929173-B1 PROCESS FOR PREPARING (9Z,11E)-9,11-HEXADECADIENAL SHINETSU CHEMICAL CO (JP) 2023-07-19 EP disclosed
US-11319271-B2 Process for preparing (9Z,11E)-9,11-hexadecadienal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-03 US disclosed
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-20210403403-A1 PROCESS FOR PREPARING (9Z,11E)-9,11-HEXADECADIENAL SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-12-30 US disclosed
EP-3929173-A1 PROCESS FOR PREPARING (9Z,11E)-9,11-HEXADECADIENAL Shin-Etsu Chemical Co., Ltd. (JP) 2021-12-29 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
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
US-7932410-B2 Production of pheromones and fragrances from substituted and unsubstituted 1-alken-3yl alkylates BEDOUKIAN RESEARCH, INC. (US) 2011-04-26 US disclosed
US-20100113837-A1 Production of pheromones and fragrances from substituted and unsubstituted 1-alken-3yl alkylates BEDOUKIAN RESEARCH, INC. 2010-05-06 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 (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-20210403403-A1 PROCESS FOR PREPARING (9Z,11E)-9,11-HEXADECADIENAL CYP2J2, DHRS9, DHCR7 THRB 2402/4885SMPD1 2210/4885LMNA 2109/4885
US-11148989-B2 Dialkoxyalkadienyne compound and a process for preparing the same and a process for preparing a dienynal compound DOHH, HRH1, HRH2 THRB 3348/4885SMPD1 2872/4885LMNA 2104/4885
US-20210061745-A1 PROCESS FOR PREPARING 4-PENTEN-2-YNAL ORC3, OR10J3, OXER1 THRB 1935/4885SMPD1 4659/4885LMNA 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 3289/4885SMPD1 2856/4885LMNA 2116/4885
US-20100113837-A1 Production of pheromones and fragrances from substituted and unsubstituted 1-alken-3yl alkylates OR51E2, AR, NAA50 THRB 1373/4885SMPD1 3388/4885LMNA 3777/4885
US-11319271-B2 Process for preparing (9Z,11E)-9,11-hexadecadienal CYP2J2, DHRS9, DHCR7 THRB 2506/4885SMPD1 2193/4885LMNA 2097/4885

“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.