SCHEMBL808782

SCHEMBL808782

CCCc1c([C@@H](N)C(C)(C)O)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.42
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 4/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL808979 1.00 NCEH1 (0.42) NCEH1KDM4EALDH1A1GAAHPGD
SCHEMBL809182 0.75 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL809175 0.75 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL808811 0.75 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL808925 0.74 NCEH1 (0.43) NCEH1CYP2C9KMT2AMEN1
SCHEMBL808973 0.73 ALOX5 (0.44) NCEH1KDM4EALDH1A1GAAHPGD
SCHEMBL809207 0.73 ALOX5 (0.44) NCEH1KDM4EALDH1A1GAAHPGD
SCHEMBL809220 0.71 CYP1A2 (0.44) NCEH1KDM4EALDH1A1GAAHPGD
SCHEMBL808718 0.71 CYP1A2 (0.44) NCEH1KDM4EALDH1A1GAAHPGD
SCHEMBL28633556 0.70 ALDH1A1 (0.48) NCEH1KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 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
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 NCEH1 1915/4885KDM4E 3069/4885ALDH1A1 897/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE NCEH1 1915/4885KDM4E 3069/4885ALDH1A1 897/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE NCEH1 1915/4885KDM4E 3069/4885ALDH1A1 897/4885

“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.