SCHEMBL4096840

SCHEMBL4096840

FC(F)(F)c1ccc(SCCCCCCCCCCCCBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
DRD3 P35462 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
PTPN1 P18031 1/20 0.41
GSK3B P49841 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
DAO P14920 1/20 0.38
SLC2A1 P11166 1/20 0.35
CA2 P00918 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PTGS2 P35354 2/20 0.34
AR P10275 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
PPARD Q03181 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 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
SCHEMBL9672124 0.84 SLC2A1 (0.44) SLC2A1CA2PTGS2HDAC1HDAC8
SCHEMBL4089162 0.82 CA2 (0.53) HTR1ADRD2HTR2ADRD3HRH3
SCHEMBL24306006 0.82 AR (0.47) HTR1ADRD2HTR2ADRD3HRH3
SCHEMBL2329783 0.80 ALDH1A1 (0.46) HRH3SLC2A1PTGS2CYP1A2CYP3A4
SCHEMBL7324158 0.77 HSP90AA1 (0.45) SLC2A1CA2PTGS2HDAC1HDAC8
SCHEMBL7823518 0.77 HTR1A (0.42) HTR1ADRD2HTR2ADRD3SLC2A1
SCHEMBL13724723 0.77 PTPN1 (0.44) HTR1ADRD2HTR2ADRD3HRH3
SCHEMBL9671249 0.76 SLC2A1 (0.47) SLC2A1CA2HDAC1HDAC8CYP1A2
SCHEMBL7009525 0.76 HDAC3 (0.54) HTR1ADRD2HTR2ADRD3HDAC1
SCHEMBL7388114 0.75 ALDH1A1 (0.58) PTGS2HDAC1HDAC8CYP1A2CYP3A4

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 HTR1A 3607/4885DRD2 355/4885HTR2A 2899/4885

“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.