SCHEMBL3676016

SCHEMBL3676016

CCC(C)(CCCC(C)=O)OC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
ACHE P22303 1/20 0.34
PAOX Q6QHF9 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
SLC15A2 Q16348 1/20 0.30

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
SCHEMBL16463400 0.86 ALDH1A1 (0.36) ALDH1A1ACHEPAOXGAALMNA
SCHEMBL15571081 0.84 TSHR (0.42) ALDH1A1TSHRTDP1LMNA
SCHEMBL11550538 0.81 CYP1A1 (0.32) ALDH1A1TDP1LMNA
SCHEMBL11550537 0.81 CYP1A1 (0.32) ALDH1A1TDP1LMNA
SCHEMBL11232780 0.77 ALDH1A1 (0.39) ALDH1A1ACHEPAOXGAATSHR
SCHEMBL11551788 0.77 ALDH1A1 (0.30) ALDH1A1TDP1LMNA
SCHEMBL11551792 0.77 ALDH1A1 (0.30) ALDH1A1TDP1LMNA
SCHEMBL22186415 0.75 LMNA (0.32) ALDH1A1TSHRLMNA
SCHEMBL11806205 0.75 ALDH1A1 (0.45) ALDH1A1TSHRTDP1LMNA
SCHEMBL11546263 0.74 PTPN1 (0.41) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104704094-B Flavor and fragrance formulation (III) 帝斯曼知识产权资产管理有限公司 2020-06-23 CN disclosed
EP-2904076-B1 FLAVOR AND FRAGRANCE FORMULATION (III) DSM IP ASSETS BV (NL) 2018-12-12 EP disclosed
US-9567286-B2 Flavor and fragrance formulation (III) DSM IP ASSETS B.V. (NL) 2017-02-14 US disclosed
US-20150307439-A1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS B.V. (NL) 2015-10-29 US disclosed
US-20150307439-A1 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS B.V. (NL) 2015-10-29 US disclosed
US-20150246868-A1 FLAVOR AND FRAGRANCE FORMULATION (III) DSM IP ASSETS B.V. (NL) 2015-09-03 US disclosed
EP-2904076-A1 FLAVOR AND FRAGRANCE FORMULATION (III) DSM IP Assets B.V. (NL) 2015-08-12 EP disclosed
EP-2904080-A2 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP Assets B.V. (NL) 2015-08-12 EP disclosed
WO-2014056847-A1 FLAVOR AND FRAGRANCE FORMULATION (II) DSM IP ASSETS B.V. (NL) 2014-04-17 WO disclosed
WO-2014056848-A1 FLAVOR AND FRAGRANCE FORMULATION (III) DSM IP ASSETS B.V. (NL) 2014-04-17 WO disclosed
WO-2014056851-A2 FLAVOR AND FRAGRANCE FORMULATION (I) DSM IP ASSETS B.V. (NL) 2014-04-17 WO disclosed
US-7790668-B2 2-methoxy-2,6-dimethyloctanal and its use as a fragrance ingredient GIVAUDAN SA (CH) 2010-09-07 US disclosed
EP-1924544-B1 6-METHOXY-2,6-DIMETHYLOCTANAL AND ITS USE AS A FRAGRANCE INGREDIENT GIVAUDAN SA (CH) 2009-01-14 EP disclosed
US-20080261860-A1 2-Methoxy-2, 6-Dimethyloctanal and Its Use as a Fragrance Ingredient GIVAUDAN SA (CH) 2008-10-23 US disclosed
EP-1924544-A1 6-METHOXY-2,6-DIMETHYLOCTANAL AND ITS USE AS A FRAGRANCE INGREDIENT Givaudan SA (CH) 2008-05-28 EP disclosed
WO-2007030967-A1 6-METHOXY-2,6-DIMETHYLOCTANAL AND ITS USE AS A FRAGRANCE INGREDIENT GIVAUDAN SA (CH) 2007-03-22 WO disclosed
EP-1764355-A1 6-methoxy-2,6-dimethyloctanal and its use as a fragrance ingredient Givaudan S.A. (CH) 2007-03-21 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 (2 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-20150246868-A1 FLAVOR AND FRAGRANCE FORMULATION (III) NISCH, TAS2R5, OR10J3 ALDH1A1 175/4885ACHE 479/4885PAOX 861/4885
US-20150307439-A1 FLAVOR AND FRAGRANCE FORMULATION (I) NISCH, TAS2R5, FDFT1 ALDH1A1 97/4885ACHE 442/4885PAOX 778/4885

“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.