SCHEMBL6854271

SCHEMBL6854271

Cc1cc(OC(C)(C)C(=O)O)cc(C)c1Cc1ccc(O)c(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.40
THRA P10827 6/20 0.40
THRB P10828 6/20 0.40
PPARG P37231 5/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
PPARD Q03181 4/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL6852990 0.85 THRB (0.58) THRATHRBALDH1A1
SCHEMBL6854588 0.82 MMP1 (0.46) THRATHRBPTGDR2ALDH1A1GAA
SCHEMBL6854274 0.82 PPARA (0.41) PPARATHRATHRBPPARGPPARD
SCHEMBL6854042 0.81 THRA (0.40) THRATHRBPTGDR2ALDH1A1GAA
SCHEMBL6856728 0.80 PTGDR2 (0.38) THRATHRBPTGDR2ALDH1A1GAA
SCHEMBL28786151 0.76 THRB (0.68) PPARATHRATHRBPPARG
SCHEMBL7569701 0.75 GAA (0.41) ALDH1A1GAA
SCHEMBL6849586 0.71 OPRK1 (0.42) PPARA
SCHEMBL6856861 0.71 THRB (0.51) PPARATHRATHRBPPARGPPARD
SCHEMBL4211357 0.68 THRB (0.50) THRATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777442-B2 Diphenyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 2004-08-17 US disclosed
US-20030105078-A1 Diphenyl derivatives BAYER AKTIENGESSELLSCHAFT (DE) 2003-06-05 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-20030105078-A1 Diphenyl derivatives DPP4, DPP3, DPM1 PPARA 52/4885THRA 4665/4885THRB 4614/4885

“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.