SCHEMBL584861

SCHEMBL584861

O=C(O)CC1CC2CC1C1C=CCC21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
GAA P10253 2/20 0.38
SLC6A12 P48065 3/20 0.37
SLC6A11 P48066 3/20 0.37
SLC6A13 Q9NSD5 3/20 0.37
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL29786971 0.87 SLC6A12 (0.37) POLBGAASLC6A12SLC6A11SLC6A13
SCHEMBL585090 0.87 SLC6A12 (0.37) POLBGAASLC6A12SLC6A11SLC6A13
SCHEMBL1820655 0.84 POLB (0.38) POLBGAA
SCHEMBL12672605 0.79 SLC6A12 (0.42) SLC6A12SLC6A11SLC6A13HSD11B1
SCHEMBL18272567 0.76 POLB (0.44) POLBGAAALDH1A1KDM4ELMNA
SCHEMBL17717463 0.74 POLB (0.45) POLBGAAALDH1A1KDM4ELMNA
SCHEMBL19880983 0.73 POLB (0.35) POLBGAA
SCHEMBL13588777 0.72 POLB (0.39) POLBGAAALDH1A1
SCHEMBL1821204 0.72 POLB (0.30) POLB
Acetic Acid SCHEMBL28605336 0.71 POLB (0.43) POLBGAAALDH1A1KDM4ELMNA

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 43 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
EP-1737937-B1 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2013-06-12 EP claimed
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 US claimed
EP-2072083-A1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma Symrise GmbH & Co. KG (DE) 2009-06-24 EP claimed
EP-2014273-A1 Use of methyl methyl ether and another ether to provide a feeling of cleanliness and purity Symrise GmbH & Co. KG (DE) 2009-01-14 EP claimed
EP-1094784-B1 PERFUME COMPOSITION QUEST INT (NL) 2004-02-11 EP claimed
US-20240336868-A1 COMPOSITIONS COMPRISING ADAMANTYL ESTER-CONTAINING COMPOUNDS THE PROCTER & GAMBLE COMPANY 2024-10-10 US disclosed
EP-3774015-A1 SPHERICAL MICROPARTICLES BASF SE (DE) 2021-02-17 EP disclosed
WO-2019193094-A1 SPHERICAL MICROPARTICLES BASF SE (DE) 2019-10-10 WO disclosed
EP-3359517-B1 METHOD FOR THE PURIFICATION OF CYCLOHEXADEC-8-EN-1-ON BASF SE (DE) 2019-09-25 EP disclosed
EP-3523021-A1 SPHERICAL MICROPARTICLES BASF SE (DE) 2019-08-14 EP disclosed
EP-3206756-B1 USE OF HEXADECA-8,15-DIENAL AS AN AROMA CHEMICAL BASF SE (DE) 2018-09-19 EP disclosed
EP-2133102-A1 Odor reducers Symrise GmbH & Co. KG (DE) 2009-12-16 EP disclosed
WO-2009124888-A1 USE OF CARBOXYLIC ACID ESTERS AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-10-15 WO disclosed
US-20090238787-A1 ODOUR-REDUCING SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2009-09-24 US disclosed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 US disclosed
EP-2072083-A1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma Symrise GmbH & Co. KG (DE) 2009-06-24 EP disclosed
EP-2039670-A1 6-methyl-4-(2',2',3'-trimethyl-3'-cyclopentene-1'-yl)-2-cyclohexene-1-ol as sandalwood aroma Symrise GmbH & Co. KG (DE) 2009-03-25 EP disclosed
EP-2014273-A1 Use of methyl methyl ether and another ether to provide a feeling of cleanliness and purity Symrise GmbH & Co. KG (DE) 2009-01-14 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-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE CYP1B1, CYP4A22, ROS1 POLB 3044/4885GAA 4832/4885SLC6A12 4403/4885
US-20090238787-A1 ODOUR-REDUCING SUBSTANCES ADH1A, ADH1C, ALDH1A1 POLB 1305/4885GAA 2823/4885SLC6A12 2618/4885

“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.