SCHEMBL3977237

SCHEMBL3977237

O=C(O)Cc1ccc(OCCOc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.48
NR1H3 Q13133 2/20 0.48
MLYCD O95822 2/20 0.48
PLA2G4B P0C869 1/20 0.47
TBXAS1 P24557 1/20 0.45
PPARD Q03181 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
RXRA P19793 5/20 0.43
RXRB P28702 4/20 0.43
RXRG P48443 4/20 0.43
LTB4R Q15722 2/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RORC P51449 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
SCHEMBL10688205 0.87 RXRA (0.53) NR1H2NR1H3MLYCDSMN1; SMN2RXRA
SCHEMBL3981981 0.87 PLA2G4B (0.53) NR1H2NR1H3MLYCDPLA2G4BPPARD
SCHEMBL3979291 0.85 NR1H2 (0.51) NR1H2NR1H3MLYCDSMN1; SMN2LMNA
SCHEMBL3979444 0.83 PPARD (0.50) NR1H2NR1H3PLA2G4BPPARDPPARG
SCHEMBL11683055 0.82 PLA2G4B (0.61) PLA2G4BTBXAS1SMN1; SMN2LTB4RLTB4R2
SCHEMBL3984175 0.82 PLA2G4B (0.45) NR1H2NR1H3PLA2G4BPPARDPPARG
SCHEMBL3978187 0.78 NR1H2 (0.51) NR1H2NR1H3MLYCDPPARGPPARA
SCHEMBL3978193 0.78 NR1H2 (0.51) NR1H2NR1H3MLYCDPPARGPPARA
SCHEMBL3978190 0.78 NR1H2 (0.51) NR1H2NR1H3MLYCDPPARGPPARA
SCHEMBL11596764 0.78 NR4A2 (0.54) PLA2G4BTBXAS1SMN1; SMN2LTB4RLTB4R2

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 1/4885MLYCD 2588/4885

“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.