SCHEMBL891577

SCHEMBL891577

CCc1ccccc1OCCC(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.62
MAPT P10636 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HTT P42858 1/20 0.57
HPGD P15428 1/20 0.54
ATM Q13315 1/20 0.54
POLB P06746 1/20 0.53
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
IDO1 P14902 1/20 0.47
NISCH Q9Y2I1 1/20 0.45
TLR8 Q9NR97 1/20 0.45
MCHR1 Q99705 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL23966333 0.86 HTT (0.50) L3MBTL1MAPTNPSR1HTTPOLB
SCHEMBL18893506 0.85 HTT (0.53) L3MBTL1MAPTNPSR1HTTHPGD
1,2-Diisopentoxybenzene SCHEMBL2843498 0.84 HTT (0.62) L3MBTL1MAPTNPSR1HTTPOLB
SCHEMBL10783529 0.84 L3MBTL1 (0.84) L3MBTL1MAPTNPSR1HTTHPGD
SCHEMBL9079583 0.84 HTT (0.55) L3MBTL1MAPTNPSR1HTTHPGD
SCHEMBL10650264 0.84 HTT (0.51) L3MBTL1MAPTNPSR1HTTHPGD
SCHEMBL27533310 0.83 HTT (0.48) L3MBTL1MAPTNPSR1HTTHPGD
SCHEMBL4280451 0.83 HTT (0.51) L3MBTL1MAPTNPSR1HTTHPGD
SCHEMBL27533305 0.82 POLB (0.51) L3MBTL1MAPTNPSR1HTTHPGD
SCHEMBL17445913 0.82 L3MBTL1 (0.74) L3MBTL1MAPTNPSR1HPGDATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114080380-B 2- (2, 4, 5-Trimethylcyclohex-2-en-1-yl) acetaldehyde and derivatives and their use as fragrance chemicals 巴斯夫欧洲公司 2024-05-28 CN disclosed
EP-4360618-A1 METHOD FOR PREPARING PURIFIED METHYL THUJATE, USE AS A FRAGRANCE COMPONENT AND COMPOSITION CONTAINING IT Eurofragance SL (ES) 2024-05-01 EP disclosed
CN-111164078-B Fragrance chemical composition comprising 3, 5-diethyl-2-propyl-tetrahydropyran and/or unsaturated derivatives thereof 巴斯夫欧洲公司 2024-04-16 CN disclosed
CN-112752745-B 2- (5-isopropyl-2-methylcyclohex-2-en-1-yl) acetaldehyde and 2- (6-isopropyl-3-methylcyclohex-2-en-1-yl) acetaldehyde as novel aromatic compounds 西姆莱斯股份公司 2024-01-26 CN disclosed
CN-117413043-A Use of 5-methyl-5- (4-methyl-3-penten-1-yl) -2 (5H) -furanone as an aroma chemical 巴斯夫欧洲公司 2024-01-16 CN disclosed
CN-117396270-A Aqueous dispersion of microcapsules, and use thereof 高砂香料工业株式会社 2024-01-12 CN disclosed
CN-110769804-B Composition for improving smell 西姆莱斯股份公司 2024-01-05 CN disclosed
CN-105219527-B Tetrahydrofuran derivatives as fragrances 西姆莱斯股份公司 2023-11-14 CN disclosed
CN-113166006-B Dodeca-4, 8, 11-trien-1-ol and its use as an aroma chemical 巴斯夫欧洲公司 2023-09-26 CN disclosed
CN-113242750-B Microcapsule 西姆莱斯股份公司 2023-08-22 CN disclosed
CN-104918694-B Essential Oil Encapsulation 奥古斯特科勒纸厂欧洲公司 2017-11-03 CN disclosed
CN-103030538-B There is the spice of Herba Convallariae aromatic 西姆莱斯有限公司 2017-03-01 CN disclosed
CN-105939761-A Extended release fragrance compositions 雅芳产品公司 2016-09-14 CN disclosed
CN-105722495-A Polyurea or polyurethane capsules 国际香料和香精公司 2016-06-29 CN disclosed
CN-105431227-A Microcapsule TAKASAGO PERFUMERY CO LTD 2016-03-23 CN disclosed
CN-104918694-A Essential Oil Encapsulation KOEHLER AUGUST PAPIERFAB 2015-09-16 CN disclosed
CN-104546513-A Terpolymer-coated polymer encapsulated active material INT FLAVORS & FRAGRANCES INC 2015-04-29 CN disclosed
CN-103535678-A Use of defined cyclohexenones as agents for the superadditive enhancement of an olfactory impression and fragrance and/or flavor material composition SYMRISE AG 2014-01-29 CN disclosed
US-20120082628-A1 Oral Care Compositions With Improved Flavor THE PROCTER & GAMBLE COMPANY 2012-04-05 US disclosed
CN-101744738-A 4-alkyl substituted pyridines as olfactory substances SYMRISE GMBH & CO KG 2010-06-23 CN 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-20120082628-A1 Oral Care Compositions With Improved Flavor TRPA1, TAS2R40, TAS2R30 L3MBTL1 3803/4885MAPT 4044/4885NPSR1 3290/4885

“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.