SCHEMBL4089138

SCHEMBL4089138

CN(CCCCCCCCCCO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.42
LSS P48449 4/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
HTR7 P34969 1/20 0.37
KIF11 P52732 1/20 0.37
ESRRG P62508 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TLR8 Q9NR97 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
CYBB P04839 1/20 0.34
NOX4 Q9NPH5 1/20 0.34

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
SCHEMBL4089112 0.85 PTPN1 (0.40) LSSNR1H2NR1H3HTR7KIF11
SCHEMBL19865673 0.85 MAPT (0.45) MLYCDNR1H2NR1H3KIF11
SCHEMBL19823011 0.84 MMP14 (0.43) NR1H2NR1H3KIF11ESRRGTMEM97
SCHEMBL13261444 0.83 MAPT (0.46) MLYCDNR1H2NR1H3KIF11TLR8
SCHEMBL7981775 0.81 HTR7 (0.52) HTR7TLR8
SCHEMBL15362902 0.81 MAPT (0.51) MLYCDNR1H2NR1H3KIF11
SCHEMBL5539693 0.79 KIF11 (0.39) NR1H2NR1H3KIF11TMEM97SIGMAR1
SCHEMBL13223821 0.79 SLC6A4 (0.37) MLYCDNR1H2NR1H3KIF11
SCHEMBL13724651 0.78 NR1H2 (0.44) LSSNR1H2NR1H3KIF11
SCHEMBL19822977 0.78 SLC9A5 (0.40) MLYCDNR1H2NR1H3KIF11

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 MLYCD 2657/4885LSS 909/4885NR1H2 653/4885

“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.