SCHEMBL808924

SCHEMBL808924

COc1ccc2ccccc2c1C(N)C(C)(C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
FGB P02675 1/20 0.46
ALOX15 P16050 1/20 0.46
TNNI3 P19429 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
BRCA1 P38398 1/20 0.46
TNNT2 P45379 1/20 0.46
CASP7 P55210 1/20 0.46
TNNC1 P63316 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NCEH1 Q6PIU2 1/20 0.43
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL809156 1.00 MAPT (0.49) MAPTMEN1KMT2AFGBALOX15
SCHEMBL809207 0.84 ALOX5 (0.44) KMT2AMAPK1HSD17B10HPGDKDM4E
SCHEMBL808973 0.84 ALOX5 (0.44) KMT2AMAPK1HSD17B10HPGDKDM4E
SCHEMBL809150 0.80 IDO1 (0.39) MAPTALOX15MAPK1HPGDKDM4E
SCHEMBL809142 0.80 IDO1 (0.39) MAPTALOX15MAPK1HPGDKDM4E
SCHEMBL809220 0.80 CYP1A2 (0.44) MAPTMEN1KMT2AHSD17B10HPGD
SCHEMBL808718 0.80 CYP1A2 (0.44) MAPTMEN1KMT2AHSD17B10HPGD
SCHEMBL15077329 0.79 MAPT (0.60) MAPTMEN1KMT2AFGBALOX15
Iodide SCHEMBL25290235 0.78 MAPT (0.55) MAPTMEN1KMT2AFGBALOX15
SCHEMBL23499940 0.77 MEN1 (0.63) MAPTMEN1KMT2AFGBALOX15

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 MAPT 3959/4885MEN1 3119/4885KMT2A 4666/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MAPT 3959/4885MEN1 3119/4885KMT2A 4666/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MAPT 3959/4885MEN1 3119/4885KMT2A 4666/4885

“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.