SCHEMBL4583774

SCHEMBL4583774

CCCC(C)C1OCCCO1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL21038287 0.91
SCHEMBL3885291 0.81
SCHEMBL620129 0.81 HTT (0.31)
SCHEMBL9735506 0.80
SCHEMBL9544521 0.77 EPHX1 (0.34) ALDH1A1
SCHEMBL10787022 0.77
SCHEMBL11777433 0.74 HPGD (0.39) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL11093244 0.74
SCHEMBL20732987 0.72 EPHX1 (0.39) ALDH1A1
SCHEMBL22482130 0.72 EPHX1 (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0039029-B1 USE OF SUBSTITUTED 2-(1-METHYLBUTYL)-1,3-DIOXANES AS PERFUMING AGENTS AND PERFUME COMPOSITIONS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1984-07-04 EP claimed
US-4372880-A COSMETICS; CLEANING COMPOUNDS; TEXTILES; SOFTENERS; ANTISEPTICS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1983-02-08 US claimed
EP-0039029-A2 Use of substituted 2-(1-methylbutyl)-1,3-dioxanes as perfuming agents and perfume compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP claimed
JP-56167614-A None JP disclosed
CN-110114463-A Silk amino acid protease inhibitors A1 iRNA composition and its application method 阿尔尼拉姆医药品有限公司 2019-08-09 CN disclosed
CN-108271386-A factor XII (Hagemann factor) (F12), kallikrein B, plasma (Freund's Lehci factor) 1(K L KB1) and kininogen 1(KNG1) iRNA compositions and methods of use thereof 阿尔尼拉姆医药品有限公司 2018-07-10 CN disclosed
EP-1914231-A2 2-Methyl-2-alkenyl-1,3-dioxanes as fragrances Symrise GmbH & Co. KG (DE) 2008-04-23 EP disclosed
US-20080070825-A1 2-Methyl-2-alkenyl-substituted 1,3-dioxanes as odoriferous substances SYMRISE GMBH & CO. KG (DE) 2008-03-20 US disclosed
EP-0817783-B1 NOVEL 1,3-DIOXANE AND ITS USE IN PERFUMERY QUEST INT (NL) 1999-08-25 EP disclosed
US-5888961-A A 2-ISOBUTYL-5-METHYL-1,3-DIOXANE QUEST INTERNATIONAL B.V. (NL) 1999-03-30 US disclosed
EP-0817783-A1 NOVEL 1,3-DIOXANE AND ITS USE IN PERFUMERY QUEST INTERNATIONAL B.V. (NL) 1998-01-14 EP disclosed
EP-0039029-B1 USE OF SUBSTITUTED 2-(1-METHYLBUTYL)-1,3-DIOXANES AS PERFUMING AGENTS AND PERFUME COMPOSITIONS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1984-07-04 EP disclosed
EP-0039029-B1 USE OF SUBSTITUTED 2-(1-METHYLBUTYL)-1,3-DIOXANES AS PERFUMING AGENTS AND PERFUME COMPOSITIONS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1984-07-04 EP disclosed
US-4372880-A COSMETICS; CLEANING COMPOUNDS; TEXTILES; SOFTENERS; ANTISEPTICS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1983-02-08 US disclosed
US-4372880-A COSMETICS; CLEANING COMPOUNDS; TEXTILES; SOFTENERS; ANTISEPTICS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1983-02-08 US disclosed
US-4372880-A COSMETICS; CLEANING COMPOUNDS; TEXTILES; SOFTENERS; ANTISEPTICS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1983-02-08 US disclosed
EP-0039029-A3 USE OF SUBSTITUTED 2-(1-METHYLBUTYL)-1,3-DIOXANES AS PERFUMING AGENTS AND PERFUME COMPOSITIONS CONTAINING THEM 1982-08-04 EP disclosed
JP-S56167614-A USE OF SUBSTITUTED 2-(1-METHYLBUTYL)-1,3-DIOXANE AS PERFUME AND PERFUME COMPOSITION CONTAINING IT HENKEL KGAA 1981-12-23 JP disclosed
EP-0039029-A2 Use of substituted 2-(1-methylbutyl)-1,3-dioxanes as perfuming agents and perfume compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP disclosed
EP-0039029-A2 Use of substituted 2-(1-methylbutyl)-1,3-dioxanes as perfuming agents and perfume compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 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 (1 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-20080070825-A1 2-Methyl-2-alkenyl-substituted 1,3-dioxanes as odoriferous substances OR10J3, OR51E2, MECP2 ALDH1A1 42/4885MAPT 3949/4885HPGD 1548/4885

“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.