SCHEMBL13664493

SCHEMBL13664493

COc1c(O)cc(C=O)c(-c2c(C=O)cc(O)c(OC)c2OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ERN1 O75460 9/20 0.47
TRIM24 O15164 2/20 0.47
TRIM33 Q9UPN9 2/20 0.47
TYR P14679 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
LCK P06239 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
PIM1 P11309 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
SCHEMBL13079432 0.84 ERN1 (0.56) CA1CA2ERN1TRIM24TRIM33
SCHEMBL9861158 0.81 CA2 (0.49) CA1CA2ERN1TRIM24TRIM33
SCHEMBL2743529 0.78 ALDH1A1 (0.57) ERN1TDP1ALDH1A1KDM4ETSHR
SCHEMBL18002725 0.77 CA1 (0.53) CA1CA2ERN1TRIM24TRIM33
SCHEMBL13664699 0.76 ALDH1A1 (0.44) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4615908 0.74 ERN1 (0.59) CA1CA2ERN1TRIM24TRIM33
SCHEMBL28064053 0.74 ERN1 (0.58) CA1CA2ERN1TRIM24TRIM33
SCHEMBL3637463 0.74 CA1 (0.55) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1004142 0.74 MCL1 (0.66) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1003414 0.73 CA1 (0.69) CA1CA2ERN1TRIM24TRIM33

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 CA1 1044/4885CA2 401/4885ERN1 1858/4885

“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.