SCHEMBL3977412

SCHEMBL3977412

CC(Oc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 15/20 0.49
▸ NR1H3 Q13133 15/20 0.49
▸ FFAR1 O14842 1/20 0.48
▸ ALOX5 P09917 1/20 0.46
▸ LTB4R Q15722 2/20 0.43
▸ LTB4R2 Q9NPC1 2/20 0.43

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
SCHEMBL3980908 0.81 PDE4A (0.44) NR1H2NR1H3
SCHEMBL6904351 0.79 FFAR1 (0.61) FFAR1ALOX5LTB4RLTB4R2
SCHEMBL14088928 0.78 FFAR1 (0.50) FFAR1ALOX5LTB4RLTB4R2
SCHEMBL4363303 0.75 FFAR1 (0.56) FFAR1ALOX5LTB4RLTB4R2
SCHEMBL10767870 0.74 FFAR1 (0.57) NR1H2FFAR1ALOX5LTB4RLTB4R2
SCHEMBL14072830 0.74 NR1H3 (0.50) NR1H2NR1H3
SCHEMBL257849 0.72 FFAR1 (0.54) FFAR1ALOX5LTB4RLTB4R2
SCHEMBL13951559 0.72 ALDH1A1 (0.55) FFAR1ALOX5LTB4RLTB4R2
SCHEMBL11853864 0.72 FFAR1 (0.54) NR1H2FFAR1ALOX5LTB4RLTB4R2
SCHEMBL14268020 0.72 ALOX5 (0.55) FFAR1ALOX5LTB4RLTB4R2

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 1/4885FFAR1 9/4885

“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.

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