SCHEMBL4303369

SCHEMBL4303369

COc1c(C)cc(C(=O)O)c(-c2c(C(=O)O)cc(C)c(OC)c2C)c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PKM P14618 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TPMT P51580 1/20 0.37
MYC P01106 1/20 0.37
NOTUM Q6P988 2/20 0.36

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
SCHEMBL11928780 0.92 KDM4E (0.41) HSD17B10MAPTTDP1PKMKDM4E
SCHEMBL11928782 0.87 HSD17B10 (0.36) HSD17B10MAPTTDP1PKMKDM4E
SCHEMBL7089136 0.86 HSD17B10 (0.46) HSD17B10MAPTTDP1PKMKDM4E
SCHEMBL11929040 0.83 KDM4E (0.45) HSD17B10MAPTKDM4EHPGDGAA
SCHEMBL14124075 0.83 MAPT (0.47) HSD17B10MAPTTDP1PKMKDM4E
SCHEMBL28887578 0.83 HSD17B10 (0.43) HSD17B10MAPTTDP1PKMKDM4E
SCHEMBL15573104 0.82 HSD17B10 (0.46) HSD17B10MAPTTDP1PKMKDM4E
SCHEMBL31012417 0.82 HSD17B10 (0.46) HSD17B10MAPTTDP1PKMKDM4E
SCHEMBL1434189 0.80 HSD17B10 (0.52) HSD17B10MAPTTDP1PKMKDM4E
SCHEMBL26181067 0.79 MAPT (0.43) HSD17B10MAPTTDP1PKMKDM4E

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
US-8614316-B2 Optically active quaternary ammonium salt having axial asymmetry and process for producing α-amino acid and derivative thereof with the same NAGASE & CO., LTD. (JP) 2013-12-24 US disclosed
EP-2484667-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same NAGASE & COMPANY, LTD. (JP) 2012-08-08 EP disclosed
EP-2484667-A1 Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same NAGASE & COMPANY, LTD. (JP) 2012-08-08 EP disclosed
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
EP-1870403-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING -AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2007-12-26 EP disclosed
EP-1870403-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING -AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & COMPANY, LTD. (JP) 2007-12-26 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 (1 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-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT HSD17B10 1492/4885MAPT 1248/4885TDP1 3405/4885

“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.