SCHEMBL6855002

SCHEMBL6855002

CCOC(=O)C(C)(C)Oc1cc(C)c(Cc2ccc(OCc3ccccc3)c(S(=O)(=O)c3ccc(F)cc3)c2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.43
FBP1 P09467 1/20 0.38
KEAP1 Q14145 5/20 0.37
NFE2L2 Q16236 5/20 0.37
PPARG P37231 1/20 0.36
KMT2A Q03164 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
OPRK1 P41145 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
PTGER1 P34995 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL6856861 0.85 THRB (0.51) PPARAKEAP1NFE2L2PPARGFFAR4
SCHEMBL6849586 0.84 OPRK1 (0.42) PPARAKEAP1NFE2L2MRGPRX4FFAR4
SCHEMBL6855496 0.83 CTRC (0.43) PPARAKEAP1NFE2L2PPARGMRGPRX4
SCHEMBL6936062 0.82 KEAP1 (0.40) PPARAKEAP1NFE2L2MRGPRX4FFAR4
SCHEMBL28786148 0.80 THRB (0.46) PPARAPPARGFFAR4OPRK1
SCHEMBL6852831 0.80 KEAP1 (0.36) PPARAKEAP1NFE2L2MRGPRX4AR
SCHEMBL6854271 0.76 PPARA (0.40) PPARAPPARG
SCHEMBL6852995 0.74 KEAP1 (0.47) KEAP1NFE2L2KMT2ABCL2L1MCL1
SCHEMBL7089153 0.73 KEAP1 (0.46) KEAP1NFE2L2KMT2ABCL2L1MCL1
SCHEMBL28786138 0.71 THRB (0.49) PPARAPPARGFFAR4OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777442-B2 Diphenyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 2004-08-17 US disclosed
EP-1370523-A1 DIPHENYL DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-12-17 EP disclosed
US-20030105078-A1 Diphenyl derivatives BAYER AKTIENGESSELLSCHAFT (DE) 2003-06-05 US disclosed
WO-2002072539-A1 DIPHENYL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-19 WO 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-20030105078-A1 Diphenyl derivatives DPP4, DPP3, DPM1 PPARA 52/4885FBP1 1925/4885KEAP1 1863/4885

“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.