SCHEMBL585517

SCHEMBL585517

CCCCC(CC)C(=O)N(CC)CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.57
MAPK1 P28482 2/20 0.57
CA1 P00915 5/20 0.55
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
USP2 O75604 1/20 0.39
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL29144960 0.92 CA2 (0.48) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL2058689 0.90 CA2 (0.52) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL27494955 0.87 CA2 (0.48) CA2MAPK1CA1CA12CA9
SCHEMBL6116727 0.87 CHRM1 (0.52) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL2058940 0.86 CA2 (0.55) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL21730445 0.86 CA2 (0.55) CA2MAPK1CA1SLC1A2SLC1A1
Propylamine SCHEMBL7723165 0.86 CA2 (0.46) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL25445297 0.83 CA2 (0.52) CA2MAPK1SLC1A2SLC1A1MAPT
SCHEMBL11013967 0.83 CA2 (0.52) CA2MAPK1SLC1A2SLC1A1MAPT
SCHEMBL25445437 0.83 CA2 (0.52) CA2MAPK1SLC1A2SLC1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024249270-A1 REAGENT COMPOSITIONS, APPARATUS AND METHODS FOR EXTRACTING LITHIUM FROM MIXED SALTS ENERGY EXPLORATION TECHNOLOGIES, INC. (US) 2024-12-05 WO claimed
WO-2024249268-A2 COMPOSITIONS AND METHODS FOR EXTRACTING LITHIUM FROM AN AQUEOUS SOLUTION ENERGY EXPLORATION TECHNOLOGIES, INC. (US) 2024-12-05 WO claimed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-107502741-B A kind of compound extracting system and its extracting process for extracting lithium from brine containing lithium 中国科学院过程工程研究所 2018-11-27 CN 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
US-20060166857-A1 4,8-Dimethyl-7-nonen-2-one and 4,8-dimethylnonan-2-one used as perfumes SYMRISE GMBH & CO. KG (DE) 2006-07-27 US claimed
EP-1682230-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES Symrise GmbH & Co. KG (DE) 2006-07-26 EP claimed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO claimed
EP-0017604-B1 PROCESS FOR PRODUCING PERFUMING COMPOSITIONS AND PERFUMED PRODUCTS, AND COMPOSITIONS AND PRODUCTS SO OBTAINED RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-02-03 EP claimed
US-4301021-A PERFUMES RHONE-POULENC INDUSTRIES (FR) 1981-11-17 US claimed
WO-2024249272-A1 COMPOSITIONS, SYSTEMS AND METHODS FOR REMOVING IMPURITIES FROM LITHIUM-CONTAINING AQUEOUS SOLUTIONS ENERGY EXPLORATION TECHNOLOGIES, INC. (US) 2024-12-05 WO disclosed
WO-2024249270-A1 REAGENT COMPOSITIONS, APPARATUS AND METHODS FOR EXTRACTING LITHIUM FROM MIXED SALTS ENERGY EXPLORATION TECHNOLOGIES, INC. (US) 2024-12-05 WO disclosed
WO-2024249268-A2 COMPOSITIONS AND METHODS FOR EXTRACTING LITHIUM FROM AN AQUEOUS SOLUTION ENERGY EXPLORATION TECHNOLOGIES, INC. (US) 2024-12-05 WO disclosed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO disclosed
US-4301021-A PERFUMES RHONE-POULENC INDUSTRIES (FR) 1981-11-17 US disclosed
US-4301021-A PERFUMES RHONE-POULENC INDUSTRIES (FR) 1981-11-17 US disclosed
US-4301021-A PERFUMES RHONE-POULENC INDUSTRIES (FR) 1981-11-17 US 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-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE CYP1B1, CYP4A22, ROS1 CA2 4350/4885MAPK1 2507/4885CA1 4178/4885

“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.