SCHEMBL13664124

SCHEMBL13664124

CCOc1cc(C=O)c(-c2c(C=O)cc(OCC)c(OCC)c2OCC)c(OCC)c1OCC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 11/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ERN1 O75460 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
SCHEMBL11929032 0.87 TSHR (0.47) LMNATSHRALDH1A1KDM4EL3MBTL1
SCHEMBL13664107 0.82 LMNA (0.62) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL13664699 0.80 ALDH1A1 (0.44) LMNATSHRALDH1A1KDM4ECYP1A2
SCHEMBL10969853 0.80 LMNA (0.68) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL10773535 0.79 LMNA (0.53) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL38660114 0.79 ALDH1A1 (0.58) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL11929037 0.77 TSHR (0.41) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL6901917 0.76 LMNA (0.50) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL3431542 0.76 LMNA (0.69) LMNATSHRPOLBALDH1A1KDM4E
SCHEMBL1654627 0.76 LMNA (0.49) LMNATSHRPOLBALDH1A1KDM4E

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 4073/4885TSHR 3260/4885POLB 476/4885

“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.