SCHEMBL13664108

SCHEMBL13664108

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
LMNA P02545 3/20 0.38
HSD17B10 Q99714 3/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL21757387 0.82 TP53 (0.43) ALDH1A1SMN1; SMN2HTTTSHRHPGD
SCHEMBL27780740 0.81 TSHR (0.46) ALDH1A1SMN1; SMN2HTTTSHRHPGD
SCHEMBL13664122 0.79 TSHR (0.44) ALDH1A1SMN1; SMN2HTTTSHRLMNA
SCHEMBL28626336 0.79 TSHR (0.44) ALDH1A1SMN1; SMN2HTTTSHRLMNA
SCHEMBL13664109 0.78 TSHR (0.43) ALDH1A1SMN1; SMN2HTTTSHRLMNA
SCHEMBL28058188 0.76 TSHR (0.46) ALDH1A1SMN1; SMN2HTTTSHRHPGD
SCHEMBL31360845 0.75 TSHR (0.52) ALDH1A1SMN1; SMN2HTTTSHRHPGD
SCHEMBL13664107 0.74 LMNA (0.62) ALDH1A1SMN1; SMN2HTTTSHRHPGD
SCHEMBL4305124 0.73 TSHR (0.63) ALDH1A1SMN1; SMN2HTTTSHRNCOA1
SCHEMBL13324326 0.73 KDM4E (0.49) ALDH1A1SMN1; SMN2HTTTSHRHPGD

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 ALDH1A1 837/4885SMN1; SMN2 3089/4885HTT 1484/4885

“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.