SCHEMBL5266401

SCHEMBL5266401

CC1=C(C)C(C(=O)O)C(C)(C)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
APLNR P35414 1/20 0.31
FFAR3 O14843 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
SCHEMBL11447479 0.78 CYP1A2 (0.32) CYP1A2
SCHEMBL11447481 0.78 CYP1A2 (0.32) CYP1A2
SCHEMBL11449014 0.77
SCHEMBL113909 0.77 ALDH1A1 (0.36)
SCHEMBL10975678 0.71 TSHR (0.32)
SCHEMBL8813613 0.68 UGT2B7 (0.33) CYP1A2APLNRFFAR3
SCHEMBL11355421 0.67
SCHEMBL9342143 0.67 ALDH1A1 (0.46) APLNR
SCHEMBL2185238 0.67 TRPA1 (0.41) CYP1A2APLNR
SCHEMBL10975675 0.65 GAA (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114401944-A Process for making substituted cyclohexanecarbonitriles 索尔维公司 2022-04-26 CN claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
CN-1893910-A Cyclic siloxane compositions for active ingredient release GEN ELECTRIC (US) 2007-01-10 CN claimed
EP-4680184-A1 HIGH PERFORMANCE FRAGRANCE COMPOSITIONS FOR RINSE-OFF CONDITIONER International Flavors & Fragrances Inc. (US) 2026-01-21 EP disclosed
CN-119730951-A Method for producing microparticles 巴斯夫欧洲公司 2025-03-28 CN disclosed
EP-4472763-A1 METHOD FOR PRODUCING MICROCAPSULES Symrise AG (DE) 2024-12-11 EP disclosed
CN-114846002-B Substituted 4-methylene-tetrahydropyrans, 4-methyl-dihydropyrans and 4-methyl-tetrahydropyrans and their use as fragrance chemicals 巴斯夫欧洲公司 2024-09-27 CN disclosed
CN-113950465-B Sandalwood type spice compound 西姆莱斯股份公司 2024-09-20 CN disclosed
WO-2024192221-A1 HIGH PERFORMANCE FRAGRANCE COMPOSITIONS FOR RINSE-OFF CONDITIONER INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2024-09-19 WO disclosed
CN-118048210-B Detergent composition 广州立白企业集团有限公司 2024-08-30 CN disclosed
CN-118574918-A 4-Cyclohexylbutan-2-one as a fragrance 西姆莱斯股份公司 2024-08-30 CN disclosed
CN-116490265-A Biodegradable polyurea/polyurethane microcapsules 西姆莱斯股份公司 2023-07-25 CN disclosed
CN-116367720-A Biodegradable polyurea/polyurethane microcapsules 西姆莱斯股份公司 2023-06-30 CN disclosed
CN-116348086-A Surfactant-containing formulations of ceramide 西姆莱斯股份公司 2023-06-27 CN disclosed
CN-116322326-A Polyurea/polyurethane microcapsules 西姆莱斯股份公司 2023-06-23 CN disclosed
CN-116018346-A Seco-ambergris acetals 西姆莱斯有限公司 2023-04-25 CN disclosed
CN-115997002-A Enrichment of diastereomers in Magnolan 西姆莱斯股份公司 2023-04-21 CN disclosed
CN-107530297-A Microcapsule composition with high performance 国际香料和香精公司 2018-01-02 CN disclosed
US-20170297992-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2017-10-19 US disclosed
EP-2865423-A2 Hybrid fragrance encapsulate formulation and method for using the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2015-04-29 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-20170297992-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS PNMT, ADH5, PIR CYP1A2 49/4885APLNR 3852/4885FFAR3 1310/4885

“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.