SCHEMBL13664201

SCHEMBL13664201

CCOc1c(OCC)c(-c2cc(F)c(F)c(F)c2)c(C=O)c(-c2c(C=O)c(-c3cc(F)c(F)c(F)c3)c(OCC)c(OCC)c2OCC)c1OCC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TUBB1 Q9H4B7 1/20 0.31

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
SCHEMBL13664106 0.80 ALDH1A1 (0.34) ALDH1A1TUBB1
SCHEMBL13664495 0.78 TUBB1 (0.31) TUBB1
SCHEMBL5537532 0.74 PDE5A (0.32)
SCHEMBL13664504 0.74
SCHEMBL5532894 0.74
SCHEMBL13662892 0.72 TSHR (0.40) ALDH1A1
SCHEMBL18241123 0.69 LMNA (0.40) LMNAALDH1A1TUBB1
SCHEMBL14364516 0.69
SCHEMBL13664492 0.68 LMNA (0.37) LMNA
SCHEMBL9340733 0.68 LMNA (0.35) LMNAALDH1A1

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 4073/4885ALDH1A1 837/4885TUBB1 71/4885

“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.