SCHEMBL4089112

SCHEMBL4089112

CN(CCCCCCCCCCBr)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
GSK3B P49841 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
KIF11 P52732 1/20 0.38
LSS P48449 3/20 0.37
HTR7 P34969 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PYCR1 P32322 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL19865673 0.86 MAPT (0.45) KIF11NR1H2NR1H3LMNAMAPT
SCHEMBL4089138 0.85 MLYCD (0.42) KIF11LSSHTR7NR1H2NR1H3
SCHEMBL13261444 0.84 MAPT (0.46) KIF11NR1H2NR1H3LMNAMAPT
SCHEMBL15362902 0.82 MAPT (0.51) KIF11NR1H2NR1H3LMNAMAPT
SCHEMBL5539693 0.81 KIF11 (0.39) KIF11NR1H2NR1H3LMNAMAPT
SCHEMBL13223821 0.80 SLC6A4 (0.37) KIF11NR1H2NR1H3LMNAMAPT
SCHEMBL13724695 0.80 KIF11 (0.43) PTPN1GSK3BKIF11NR1H2NR1H3
SCHEMBL20284303 0.78 KIF11 (0.42) KIF11NR1H2NR1H3MAPTPYCR1
SCHEMBL10499479 0.77 MAPT (0.38) PTPN1HTR7LMNAMAPT
SCHEMBL5539145 0.77 KIF11 (0.41) KIF11NR1H2NR1H3PYCR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 US disclosed
EP-2035129-A1 FLUOROSURFACTANTS Merck Patent GmbH (DE) 2009-03-18 EP disclosed
WO-2008003443-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2008-01-10 WO 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-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 PTPN1 2436/4885GSK3B 4138/4885SIRT2 1359/4885

“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.