SCHEMBL4305124

SCHEMBL4305124

CCOc1cc(C(=O)O)c(Br)c(OCC)c1OCC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
HSD17B10 Q99714 1/20 0.63
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.45
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
LMNA P02545 3/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9049767 0.92 TSHR (0.58) TSHRHSD17B10CYP3A4THRBNCOA1
SCHEMBL31356996 0.84 TSHR (0.59) TSHRHSD17B10CYP3A4THRBLMNA
SCHEMBL4304698 0.84 TSHR (0.47) TSHRHSD17B10CYP3A4NCOA1NCOA3
SCHEMBL4299370 0.83 TSHR (0.57) TSHRHSD17B10CYP3A4LMNAHTT
SCHEMBL11929251 0.83 THRA (0.49) TSHRHSD17B10THRBTP53
SCHEMBL2828736 0.82 TSHR (0.75) TSHRHSD17B10CYP3A4LMNALCK
SCHEMBL11851492 0.80 TSHR (0.54) TSHRHSD17B10CYP3A4NCOA1NCOA3
SCHEMBL19873258 0.77 TSHR (1.00) TSHRHSD17B10CYP3A4THRBNCOA1
SCHEMBL19873254 0.77 TSHR (0.58) TSHRHSD17B10CYP3A4LMNALCK
SCHEMBL18309198 0.75 TSHR (0.66) TSHRHSD17B10CYP3A4LMNALCK

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 7 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
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 TSHR 3260/4885HSD17B10 1492/4885CYP3A4 3412/4885

“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.