SCHEMBL809207

SCHEMBL809207

CCOc1ccc2ccccc2c1C(N)C(C)(C)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 4/20 0.40
NCEH1 Q6PIU2 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR5 P32302 1/20 0.37
DHFR P00374 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL808973 1.00 ALOX5 (0.44) ALOX5ALDH1A1NCEH1KDM4EMAPK1
SCHEMBL809156 0.84 MAPT (0.49) ALDH1A1NCEH1KDM4EMAPK1HSD17B10
SCHEMBL808924 0.84 MAPT (0.49) ALDH1A1NCEH1KDM4EMAPK1HSD17B10
SCHEMBL6532438 0.81 ALOX5 (0.46) ALOX5ALDH1A1NCEH1KDM4EMAPK1
SCHEMBL10136521 0.81 NCEH1 (0.54) ALOX5ALDH1A1NCEH1KDM4EMAPK1
SCHEMBL809220 0.76 CYP1A2 (0.44) ALDH1A1NCEH1KDM4ETSHRRAB9A
SCHEMBL808718 0.76 CYP1A2 (0.44) ALDH1A1NCEH1KDM4ETSHRRAB9A
SCHEMBL15750908 0.75 ALOX5 (0.46) ALOX5ALDH1A1NCEH1KDM4EMAPK1
SCHEMBL809232 0.74 ALDH1A1 (0.41) ALOX5ALDH1A1NCEH1KDM4ELMNA
SCHEMBL15750787 0.74 ALOX5 (0.45) ALOX5ALDH1A1NCEH1KDM4EMAPK1

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-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
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 ALOX5 173/4885ALDH1A1 897/4885NCEH1 1915/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALOX5 173/4885ALDH1A1 897/4885NCEH1 1915/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE ALOX5 173/4885ALDH1A1 897/4885NCEH1 1915/4885

“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.