SCHEMBL808940

SCHEMBL808940

COc1ccccc1CC(O)(Cc1ccccc1OC)[C@H](N)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
SLC6A4 P31645 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CETP P11597 1/20 0.40
AOC3 Q16853 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL808939 1.00 L3MBTL1 (0.46) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL27633079 0.90 ABCB1 (0.42) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL27633095 0.85 CYP1A2 (0.41) CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL820686 0.85 CYP1A2 (0.41) CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL808691 0.83 ALDH1A1 (0.40) CYP1A2CYP3A4CYP2C19ALDH1A1SLC6A4
SCHEMBL808810 0.81 KMT2A (0.46) L3MBTL1KDM4ECYP1A2CACNA1BAPBA1
SCHEMBL808815 0.79 L3MBTL1 (0.46) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL809127 0.79 TAAR1 (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL809126 0.79 TAAR1 (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL808816 0.78 CACNA1B (0.46) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C19

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 8 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
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
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 L3MBTL1 4067/4885KDM4E 3069/4885CYP1A2 25/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE L3MBTL1 4067/4885KDM4E 3069/4885CYP1A2 25/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE L3MBTL1 4067/4885KDM4E 3069/4885CYP1A2 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.