SCHEMBL13664107

SCHEMBL13664107

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
POLB P06746 1/20 0.47
ALDH1A1 P00352 8/20 0.43
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 3/20 0.41
PRKDC P78527 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL13664124 0.82 LMNA (0.56) LMNAPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL22946244 0.80 LMNA (0.58) LMNAPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL29633534 0.80 LMNA (0.58) LMNAPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL38660114 0.79 ALDH1A1 (0.58) LMNAPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL22946263 0.79 LMNA (0.57) LMNAPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL10969853 0.77 LMNA (0.68) LMNAPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL1609220 0.76 LMNA (0.43) LMNAPOLBALDH1A1SMN1; SMN2PRKDC
SCHEMBL10773535 0.76 LMNA (0.53) LMNAPOLBALDH1A1TSHRPRKDC
SCHEMBL13664108 0.74 ALDH1A1 (0.42) LMNAALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL6901917 0.74 LMNA (0.50) LMNAPOLBALDH1A1HTTSMN1; 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 LMNA 4073/4885POLB 476/4885ALDH1A1 837/4885

“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.