SCHEMBL3975906

SCHEMBL3975906

COC(=O)Cc1ccc(OC(COc2cccc(C(O)(C(F)(F)F)C(F)(F)F)c2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.56
NR1H3 Q13133 7/20 0.56
SLC6A9 P48067 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3977176 0.93 NR1H3 (0.51) NR1H2NR1H3SLC6A9MEN1KMT2A
SCHEMBL3977202 0.90 NR1H3 (0.53) NR1H2NR1H3SLC6A9PPARG
SCHEMBL3980660 0.85 NR1H2 (0.42) NR1H2NR1H3SLC6A9PPARGLMNA
SCHEMBL3980467 0.83 NR1H3 (0.47) NR1H2NR1H3SLC6A9MEN1KMT2A
SCHEMBL5613872 0.83 NR1H3 (0.47) NR1H2NR1H3SLC6A9MEN1KMT2A
SCHEMBL3977208 0.81 CACNA1B (0.46) NR1H2NR1H3SLC6A9
SCHEMBL3981070 0.81 NR1H3 (0.41) NR1H2NR1H3SLC6A9MEN1KMT2A
SCHEMBL3976043 0.81 NR1H2 (0.50) NR1H2NR1H3MEN1KMT2APPARG
SCHEMBL3984284 0.76 KDM4E (0.44) NR1H2NR1H3KMT2ALMNA
SCHEMBL5613873 0.76 NR1H2 (0.58) NR1H2NR1H3SLC6A9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473705-B2 Hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-01-06 US claimed
EP-1802566-B1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-26 EP claimed
EP-1802566-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-04 EP claimed
WO-2006037480-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO claimed
US-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. 2006-04-06 US claimed
US-7473705-B2 Hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-01-06 US disclosed
EP-1802566-B1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-26 EP disclosed
EP-1802566-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-04 EP disclosed
WO-2006037480-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
US-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. 2006-04-06 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-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives NR1H3, NR1H2, NR1I2 NR1H2 2/4885NR1H3 1/4885SLC6A9 2716/4885

“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.