SCHEMBL3980692

SCHEMBL3980692

COC(=O)c1ccc(OCCOc2c(C)cc(C(O)(C(F)(F)F)C(F)(F)F)cc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
RORC P51449 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL3980227 0.96 MAPT (0.54) MAPTRAB9ATDP1L3MBTL1LMNA
SCHEMBL3978459 0.87 MAPT (0.69) MAPTRAB9ATDP1L3MBTL1LMNA
SCHEMBL3978218 0.84 PLA2G4B (0.50) L3MBTL1NR1H2NR1H3ALDH1A1
SCHEMBL3981193 0.82 TDP1 (0.56) MAPTRAB9ATDP1L3MBTL1LMNA
SCHEMBL3976116 0.80 NR1H2 (0.46) RAB9ALMNANR1H2NR1H3SMN1; SMN2
SCHEMBL3984175 0.77 PLA2G4B (0.45) LMNANR1H2NR1H3SMN1; SMN2ALDH1A1
SCHEMBL1951546 0.77 MAPT (1.00) MAPTRAB9ATDP1L3MBTL1LMNA
SCHEMBL3977457 0.76 NR1H2 (0.54) MAPTRAB9ATDP1L3MBTL1LMNA
SCHEMBL1033729 0.75 MLYCD (0.61) MAPTRAB9ATDP1LMNANR1H2
SCHEMBL11307536 0.73 MMP1 (0.42) LMNANR1H2NR1H3RORCKDM4E

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 MAPT 4494/4885RAB9A 3090/4885TDP1 4584/4885

“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.