SCHEMBL548104

SCHEMBL548104

COc1ccc(Br)c(C)c1-c1c(OC)ccc(Br)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
NQO2 P16083 2/20 0.43
ERN1 O75460 1/20 0.41
MAPT P10636 6/20 0.40
RAB9A P51151 2/20 0.40
S1PR4 O95977 1/20 0.40
HSP90AA1 P07900 1/20 0.40
G6PD P11413 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TLR9 Q9NR96 1/20 0.40
ALDH1A1 P00352 4/20 0.39
ACHE P22303 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
SCHEMBL1829968 0.83 NQO2 (0.44) KDM4ENQO2ERN1MAPTRAB9A
SCHEMBL24027834 0.81 NQO2 (0.40) KDM4ENQO2MAPTRAB9AMAPK1
SCHEMBL8071106 0.81 NQO2 (0.43) KDM4ENQO2ERN1MAPTRAB9A
SCHEMBL2431072 0.79 TUBB1 (0.42) KDM4ENQO2ERN1MAPTMAPK1
SCHEMBL31697266 0.77 NQO2 (0.41) KDM4ENQO2ERN1MAPTRAB9A
SCHEMBL22208929 0.77 NQO2 (0.41) KDM4ENQO2ERN1MAPTRAB9A
SCHEMBL16425171 0.77 NQO2 (0.41) KDM4ENQO2ERN1MAPTRAB9A
SCHEMBL2304630 0.77 MAPT (0.45) KDM4ENQO2ERN1MAPTRAB9A
SCHEMBL14363464 0.77 ERN1 (0.56) KDM4ENQO2ERN1MAPTMAPK1
SCHEMBL30212805 0.77 CCNT1 (0.42) KDM4ENQO2MAPTALDH1A1CA1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283501-B2 Optically active 2,2′-biphenol derivative and production method of same NIPPON SODA CO., LTD. (JP) 2012-10-09 US disclosed
US-8283501-B2 Optically active 2,2′-biphenol derivative and production method of same NIPPON SODA CO., LTD. (JP) 2012-10-09 US disclosed
US-8263798-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-09-11 US disclosed
US-8263798-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-09-11 US disclosed
US-8252952-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-08-28 US disclosed
US-8252952-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-08-28 US disclosed
US-20120108846-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108846-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-05-03 US disclosed
US-20120101309-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-26 US disclosed
US-20120101309-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-26 US disclosed
US-20120095218-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095218-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2012-04-19 US disclosed
US-8110680-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-02-07 US disclosed
US-8110680-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-02-07 US disclosed
US-8110680-B2 Optically active quaternary ammonium salt having axial asymmetry, and method for producing alpha-amino acid and derivative thereof by using the same NAGASE & CO., LTD. (JP) 2012-02-07 US disclosed
US-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME NIPPON SODA CO., LTD. (JP) 2010-11-04 US disclosed
US-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME NIPPON SODA CO., LTD. (JP) 2010-11-04 US disclosed
US-20100029935-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2010-02-04 US disclosed
US-20100029935-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2010-02-04 US disclosed
US-20100029935-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME NAGASE & CO., LTD. (JP) 2010-02-04 US 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 (5 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-20120108846-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 KDM4E 2229/4885NQO2 1712/4885ERN1 1828/4885
US-20120101309-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 KDM4E 2094/4885NQO2 393/4885ERN1 1612/4885
US-20120095218-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 KDM4E 2229/4885NQO2 1712/4885ERN1 1828/4885
US-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME SQLE, CYP2J2, CYP24A1 KDM4E 4539/4885NQO2 113/4885ERN1 2867/4885
US-20100029935-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME AADAT, BCAT1, BCAT2 KDM4E 2229/4885NQO2 1712/4885ERN1 1828/4885

“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.