SCHEMBL873100

SCHEMBL873100

CC1(O)CCC2CCCC=C2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
ESR2 Q92731 1/20 0.33
CYP19A1 P11511 9/20 0.31

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
SCHEMBL30317845 0.79 TRPA1 (0.37) TRPA1ESR2CYP19A1
SCHEMBL1460613 0.73 TRPA1 (0.37) TRPA1CYP19A1
SCHEMBL28489393 0.69 TRPA1 (0.31) TRPA1CYP19A1
SCHEMBL29278573 0.68 TP53 (0.31) CYP19A1
SCHEMBL7997138 0.68
SCHEMBL3306773 0.67 TRPA1 (0.33) TRPA1CYP19A1
SCHEMBL21002361 0.67 ESR2 (0.32) ESR2
SCHEMBL4989137 0.66 CYP19A1 (0.32) CYP19A1
SCHEMBL29152837 0.66 CYP19A1 (0.32) TRPA1CYP19A1
SCHEMBL29152840 0.66 CYP19A1 (0.32) TRPA1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021900-B1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2023-10-11 EP claimed
US-20240199520-A1 2-(2-(3-METHYLBUT-2-EN-1YL)PHENYL) PROPANAL AND MIXTURES THEREOF AS AROMA INGREDIENT BASF SE (DE) 2024-06-20 US disclosed
US-20240199519-A1 ARYL/ALKENYL-PENTENAL DERIVATIVES AS AROMA CHEMICALS BASF SE (DE) 2024-06-20 US disclosed
US-20240166585-A1 MIXTURES OF META AND PARA SUBSTITUTED 4-ISOBUTYL-CYCLOHEXANE AS AROMA INGREDIENT BASF SE (DE) 2024-05-23 US disclosed
CN-118048210-A Detergent composition 广州立白企业集团有限公司 2024-05-17 CN disclosed
CN-117794861-A Process for producing pellets comprising magnesium ion containing material OMYA国际股份公司 2024-03-29 CN disclosed
EP-4293094-A1 USE OF LIMONENE DIALDEHYDE MIXTURES AS AROMA INGREDIENT BASF SE (DE) 2023-12-20 EP disclosed
EP-4021900-B1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2023-10-11 EP disclosed
US-11674110-B2 Compositions containing lauryl methacrylate for malodor reduction and uses thereof AGILEX FLAVORS AND FRAGRANCES, INC (US) 2023-06-13 US disclosed
CN-115916392-A Surface-reacted calcium carbonate in a process for producing supported microcapsules OMYA国际股份公司 2023-04-04 CN disclosed
EP-4021900-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2022-07-06 EP disclosed
EP-3325707-B1 COMPOSITIONS FOR MALODOR REDUCTION AND USE THEREOF AGILEX FLAVORS & FRAGRANCES INC (US) 2021-09-29 EP disclosed
WO-2021122674-A1 2,4-DIETHYLOCTA-2,6-DIENAL AND ITS USE AS AROMA CHEMICAL BASF SE (DE) 2021-06-24 WO disclosed
EP-3838882-A1 2,4-DIETHYLOCTA-2,6-DIENAL AND ITS USE AS AROMA CHEMICAL BASF SE (DE) 2021-06-23 EP disclosed
WO-2021037806-A1 2,2,6-TRIMETHYL-4,5-DIHYDRO-3H-OXEPINE AS AROMA INGREDIENT BASF SE (DE) 2021-03-04 WO disclosed
US-20200087596-A1 COMPOSITIONS FOR MALODOR REDUCTION AND USES THEREOF Agilex Flavors and Fragrances, Inc. (US) 2020-03-19 US disclosed
EP-3325707-A1 COMPOSITIONS FOR MALODOR REDUCTION AND USE THEREOF Agilex Flavors & fragrances, Inc. (US) 2018-05-30 EP disclosed
WO-2017015173-A1 COMPOSITIONS FOR MALODOR REDUCTION AND USE THEREOF AGILEX FLAVORS & FRAGRANCES, INC. (US) 2017-01-26 WO disclosed
EP-2618856-A1 DEODORANT COMPOSITION FOR SULFIDES Takasago International Corporation (JP) 2013-07-31 EP disclosed
WO-2012039516-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-29 WO 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-20240199520-A1 2-(2-(3-METHYLBUT-2-EN-1YL)PHENYL) PROPANAL AND MIXTURES THEREOF AS AROMA INGREDIENT PIR, ENY2, IMPA1 TRPA1 108/4885ESR2 1360/4885CYP19A1 766/4885
US-20240166585-A1 MIXTURES OF META AND PARA SUBSTITUTED 4-ISOBUTYL-CYCLOHEXANE AS AROMA INGREDIENT CYP19A1, CYP1A1, CYP3A4 TRPA1 17/4885ESR2 1054/4885CYP19A1 1/4885
US-20240199519-A1 ARYL/ALKENYL-PENTENAL DERIVATIVES AS AROMA CHEMICALS AHR, ARNT, TRPA1 TRPA1 3/4885ESR2 141/4885CYP19A1 56/4885

“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.