SCHEMBL3987085

SCHEMBL3987085

COC(=O)c1ccc(OCCOc2c(C)cc(C(OCc3ccc(OC)cc3)(C(F)(F)F)C(F)(F)F)cc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 6/20 0.44
RORC P51449 1/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
FFAR1 O14842 1/20 0.41
LMNA P02545 2/20 0.40
AR P10275 1/20 0.40
GAA P10253 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL3987602 0.83 APP (0.41) RAB9ANPC1SMN1; SMN2POLB
SCHEMBL3982029 0.82 APP (0.40) RAB9ANPC1SMN1; SMN2POLB
SCHEMBL3980692 0.80 MAPT (0.58) MAPTL3MBTL1TDP1RAB9ARORC
SCHEMBL3980227 0.76 MAPT (0.54) MAPTL3MBTL1TDP1RAB9ARORC
SCHEMBL3978166 0.75 ALOX5 (0.43) MEN1KMT2A
SCHEMBL3985462 0.74 NR1H2 (0.44) MAPTRAB9ARORCNPC1SMN1; SMN2
SCHEMBL3979075 0.73 APP (0.51) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3729907 0.72 NPC1 (0.75) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3983212 0.71 IGF1R (0.40) AR
SCHEMBL18539809 0.71 RAB9A (0.54) MAPTL3MBTL1TDP1RAB9ANPC1

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 5 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 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 4494/4885L3MBTL1 1685/4885TDP1 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.