SCHEMBL13664495

SCHEMBL13664495

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

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL5537532 0.79 PDE5A (0.32)
SCHEMBL5532894 0.79
SCHEMBL13664504 0.79
SCHEMBL13664201 0.78 LMNA (0.34) TUBB1
SCHEMBL4302103 0.77 TUBB1 (0.33) TUBB1FFAR1FFAR4
SCHEMBL13662892 0.74 TSHR (0.40) FFAR1FFAR4
SCHEMBL14364516 0.73
SCHEMBL4753814 0.71 ALDH1A1 (0.39) TUBB1HTR2AHTR2CHTR2B
SCHEMBL12754542 0.70 PTGS2 (0.40) FFAR1FFAR4
SCHEMBL13664220 0.69 TUBB1 (0.33) TUBB1FFAR1FFAR4

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 TUBB1 71/4885HTR2A 2379/4885HTR2C 3099/4885

“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.