SCHEMBL6852831

SCHEMBL6852831

Cc1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(C)c1Cc1ccc(OCc2ccccc2)c(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.36
NFE2L2 Q16236 4/20 0.36
AR P10275 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
PPARA Q07869 2/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 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
SCHEMBL6849586 0.85 OPRK1 (0.42) KEAP1NFE2L2ARLMNAMAPT
SCHEMBL6936062 0.85 KEAP1 (0.40) KEAP1NFE2L2ARLMNAPOLB
SCHEMBL6856861 0.84 THRB (0.51) KEAP1NFE2L2PPARATHRATHRB
SCHEMBL6854409 0.84 KEAP1 (0.36) KEAP1NFE2L2ARCYP19A1PPARA
SCHEMBL6855496 0.82 CTRC (0.43) KEAP1NFE2L2SMN1; SMN2PPARAMRGPRX4
SCHEMBL6855002 0.80 PPARA (0.43) KEAP1NFE2L2ARPPARAMRGPRX4
SCHEMBL28786167 0.79 THRB (0.46) MAPTSTAT3HTTSMN1; SMN2THRA
SCHEMBL7089153 0.75 KEAP1 (0.46) KEAP1NFE2L2ARLMNAPOLB
SCHEMBL6852995 0.74 KEAP1 (0.47) KEAP1NFE2L2ARLMNAPOLB
SCHEMBL6849377 0.73 KEAP1 (0.40) KEAP1NFE2L2ARLMNAPOLB

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.