SCHEMBL2491578

SCHEMBL2491578

CC1=C(C=O)CCCC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
APP P05067 2/20 0.33
SNCA P37840 2/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
HAO1 Q9UJM8 1/20 0.32
LMNA P02545 1/20 0.30
PTGS1 P23219 1/20 0.30
DRD3 P35462 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
SLCO1B1 Q9Y6L6 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
SCHEMBL1040060 0.86
SCHEMBL10851929 0.78 CYP1A2 (0.33) CYP1A2ALDH1A1APPSNCALMNA
SCHEMBL1789263 0.78 CYP1A2 (0.41) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL13278278 0.77 CYP1A2 (0.33) CYP1A2
SCHEMBL1659388 0.77 CYP1A2 (0.36) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL28235472 0.75 APP (0.36) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL28956424 0.74 CYP1A2 (0.45) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL28858236 0.74 CYP1A2 (0.45) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL1790698 0.72 CYP1A2 (0.37) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL28114775 0.72 CYP1A2 (0.37) CYP1A2ALDH1A1CYP3A4APPSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116349674-A Application of natural compound in promoting plant root growth 南京农业大学三亚研究院 2023-06-30 CN claimed
CN-105001989-B White Galaxy essential oil and preparation method and application 河南红枫种苗股份有限公司 2018-04-06 CN claimed
EP-2364186-B1 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES HENKEL AG & CO KGAA (DE) 2013-12-25 EP claimed
US-20110237685-A1 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES HENKEL AG & CO. KGAA (DE) 2011-09-29 US claimed
CN-114007660-B Refreshing composition and method for atomizing refreshing composition by using heat-activated microfluidic cartridge 宝洁公司 2024-07-05 CN disclosed
CN-115677463-B Simple preparation method of beta-cyclic citral 新发药业有限公司 2024-04-16 CN disclosed
CN-115677464-B Preparation method of high-yield beta-cyclic citral 新发药业有限公司 2024-04-16 CN disclosed
CN-116349674-A Application of natural compound in promoting plant root growth 南京农业大学三亚研究院 2023-06-30 CN disclosed
CN-115677464-A Preparation method of beta-cyclocitral with high yield 新发药业有限公司 2023-02-03 CN disclosed
CN-115677463-A Simple preparation method of beta-cyclocitral 新发药业有限公司 2023-02-03 CN disclosed
CN-115677465-A Preparation method of beta-cyclocitral 新发药业有限公司 2023-02-03 CN disclosed
US-9217126-B2 Photolabile fragrance storage substances HENKEL AG & CO. KGAA (DE) 2015-12-22 US disclosed
EP-2364186-B1 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES HENKEL AG & CO KGAA (DE) 2013-12-25 EP disclosed
CN-102721640-A Method for rapidly measuring number of microcystis cells in water sample UNIV ZHEJIANG 2012-10-10 CN disclosed
WO-2012134971-A2 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2012-10-04 WO disclosed
WO-2011155983-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC. (US) 2011-12-15 WO disclosed
US-20110237685-A1 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES HENKEL AG & CO. KGAA (DE) 2011-09-29 US disclosed
EP-1976855-A1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES Henkel AG & Co. KGaA (DE) 2008-10-08 EP disclosed
WO-2007087977-A1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2007-08-09 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 (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-20110237685-A1 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES TRPA1, NISCH, ALDH18A1 CYP1A2 228/4885ALDH1A1 12/4885CYP3A4 223/4885

“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.