SCHEMBL809175

SCHEMBL809175

CC(C)(O)[C@@H](N)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
AOC3 Q16853 1/20 0.41
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
SLC6A4 P31645 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ACP3 P15309 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 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
SCHEMBL809182 1.00 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP1A2CYP2C19AOC3
SCHEMBL808811 1.00 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP1A2CYP2C19AOC3
SCHEMBL808899 0.81 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP1A2CYP2C19AOC3
SCHEMBL1662289 0.81 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP1A2CYP2C19AOC3
SCHEMBL808997 0.79 CYP2C19 (0.44) ALDH1A1CYP2C9CYP1A2CYP2C19ADRA2A
SCHEMBL808996 0.79 CYP2C19 (0.44) ALDH1A1CYP2C9CYP1A2CYP2C19ADRA2A
SCHEMBL808788 0.78 METAP2 (0.43) ALDH1A1CYP2C9CYP1A2CYP2C19AOC3
SCHEMBL808800 0.78 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP1A2CYP2C19AOC3
SCHEMBL808817 0.77 KCNJ11 (0.40) ALDH1A1CYP2C9CYP1A2CYP2C19AOC3
SCHEMBL808818 0.77 KCNJ11 (0.40) ALDH1A1CYP2C9CYP1A2CYP2C19AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075150-B Method for preparing chiral amino alcohol derivative by asymmetric hydrocarbon bond amination under nonmetal catalysis 浙江大学 2023-06-16 CN disclosed
CN-114075150-A Method for preparing chiral amino alcohol derivative through nonmetal-catalyzed asymmetric carbon-hydrogen bond amination 浙江大学 2022-02-22 CN disclosed
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed
US-7683215-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-23 US disclosed
US-7671213-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
CN-101125833-A Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL CO (JP) 2008-02-20 CN disclosed
US-7288674-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-30 US disclosed
US-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-06 US disclosed
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 CN disclosed
EP-1593674-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-11-09 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 (3 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-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof ACSL3, ADSL, SQLE ALDH1A1 897/4885CYP2C9 22/4885CYP1A2 25/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885CYP2C9 22/4885CYP1A2 25/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALDH1A1 897/4885CYP2C9 22/4885CYP1A2 25/4885

“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.