SCHEMBL3984258

SCHEMBL3984258

COC(=O)c1ccc(OC(CO)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
RAB9A P51151 5/20 0.55
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
SLC6A9 P48067 3/20 0.46
ROCK2 O75116 1/20 0.46
LMNA P02545 1/20 0.46
OPRD1 P41143 1/20 0.45

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
SCHEMBL14967230 0.94 MAPT (0.55) MAPTRAB9ATSHRSMN1; SMN2NPC1
SCHEMBL6255480 0.85 MAPT (0.51) MAPTRAB9ATSHRSMN1; SMN2NPC1
SCHEMBL18744741 0.83 SLC6A4 (0.69) RAB9ATSHRSMN1; SMN2NPC1ALDH1A1
SCHEMBL14966679 0.82 MAPT (0.55) MAPTRAB9ATSHRSMN1; SMN2NPC1
SCHEMBL17278088 0.81 SLC7A5 (0.62) MAPTRAB9ASMN1; SMN2NPC1SLC6A9
SCHEMBL29523814 0.80 LTB4R (0.57) MAPTRAB9ATSHRSMN1; SMN2NPC1
SCHEMBL29035407 0.80 LTB4R (0.57) MAPTRAB9ATSHRSMN1; SMN2NPC1
SCHEMBL29523345 0.80 LTB4R (0.57) MAPTRAB9ATSHRSMN1; SMN2NPC1
SCHEMBL14966746 0.80 MAPT (0.52) MAPTRAB9ATSHRSMN1; SMN2NPC1
SCHEMBL17319375 0.79 PPARG (0.51) MAPTRAB9ASMN1; SMN2L3MBTL1ALDH1A1

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 4494/4885RAB9A 3090/4885TSHR 139/4885

“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.