SCHEMBL13664125

SCHEMBL13664125

COc1c(C)c(Br)c(C)c(-c2c(C)c(Br)c(C)c(OC)c2C)c1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CA4 P22748 3/20 0.36
CA1 P00915 1/20 0.36
CA6 P23280 1/20 0.36
PTPN1 P18031 1/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL14946904 0.83 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL11268433 0.80 CA2 (0.40) CA2CA4CA1CA6PTPN1
SCHEMBL21883813 0.80 CA2 (0.40) CA2CA4CA1CA6PTPN1
SCHEMBL1783863 0.78 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL14098922 0.78 CA2 (0.39) CA2CA4CA1CA6PTPN1
SCHEMBL9070629 0.77 CA2 (0.42) CA2CA4CA1CA6PTPN1
SCHEMBL5546615 0.74 CA2 (0.41) CA2CA4CA1CA6PTPN1
SCHEMBL8915846 0.74 ACHE (0.35) ALDH1A1SMN1; SMN2
SCHEMBL1275689 0.72 CA2 (0.44) CA2CA4CA1CA6PTPN1
SCHEMBL12974023 0.71 ACHE (0.33) ALDH1A1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CA2 401/4885CA4 2442/4885CA1 1044/4885

“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.