SCHEMBL3977512

SCHEMBL3977512

OC(c1ccc(OCc2ccccc2)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
NR1H2 P55055 5/20 0.55
NR1H3 Q13133 5/20 0.55
PTPRC P08575 1/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPRB P23467 1/20 0.54
PTPN6 P29350 1/20 0.54
CDC25A P30304 1/20 0.54
PTPN11 Q06124 1/20 0.54
MLYCD O95822 2/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL7989351 0.87 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL28028225 0.84 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3979916 0.84 NPC1 (0.54) NR1H2NR1H3MLYCDRAB9A
SCHEMBL8483069 0.84 LMNA (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3976637 0.83 MRGPRX4 (0.56) PTPN2PTPN1PTPRBPTPN6PTPN11
SCHEMBL27416065 0.82 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL255002 0.82 MAOB (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5406101 0.82 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6060638 0.81 LMNA (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL20326486 0.80 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101031540-B Hexafluoroisopropanol substituted ether derivatives HOFFMANN LA ROCHE 2010-05-26 CN claimed
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
CN-101031540-A Hexafluoroisopropanol substituted ether derivatives HOFFMANN LA ROCHE (CH) 2007-09-05 CN 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
CN-101031540-B Hexafluoroisopropanol substituted ether derivatives HOFFMANN LA ROCHE 2010-05-26 CN disclosed
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
CN-101031540-A Hexafluoroisopropanol substituted ether derivatives HOFFMANN LA ROCHE (CH) 2007-09-05 CN 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 LMNA 3275/4885CYP1A2 478/4885PTGS1 2953/4885

“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.