SCHEMBL6854409

SCHEMBL6854409

Cc1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(C)c1C(O)c1ccc(OCc2ccccc2)c(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.36
NFE2L2 Q16236 6/20 0.36
AR P10275 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
PPARA Q07869 2/20 0.33
CNR1 P21554 1/20 0.33
NAMPT P43490 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
KCNH2 Q12809 2/20 0.33
MCL1 Q07820 1/20 0.33
ADAMTS4 O75173 1/20 0.33
RORC P51449 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL6852831 0.84 KEAP1 (0.36) KEAP1NFE2L2ARMRGPRX4PPARA
SCHEMBL29800201 0.79 MAPK1 (0.36) KEAP1NFE2L2
SCHEMBL6852995 0.71 KEAP1 (0.47) KEAP1NFE2L2ARMCL1RORC
SCHEMBL3157117 0.70 PDE10A (0.32)
SCHEMBL31041199 0.70 PDE10A (0.32)
SCHEMBL6849586 0.70 OPRK1 (0.42) KEAP1NFE2L2ARMRGPRX4PPARA
SCHEMBL6856861 0.70 THRB (0.51) KEAP1NFE2L2PPARA
SCHEMBL7089153 0.69 KEAP1 (0.46) KEAP1NFE2L2ARHTR2AHTR2C
SCHEMBL23824146 0.69 FFAR4 (0.48) MRGPRX4
SCHEMBL6855496 0.68 CTRC (0.43) KEAP1NFE2L2MRGPRX4PPARAADAMTS4

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 KEAP1 1863/4885NFE2L2 78/4885AR 1487/4885

“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.