SCHEMBL6852990

SCHEMBL6852990

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

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 19/20 0.58
THRA P10827 18/20 0.58
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6854588 0.87 MMP1 (0.46) THRBTHRAALDH1A1
SCHEMBL6854271 0.85 PPARA (0.40) THRBTHRAALDH1A1
SCHEMBL6856861 0.85 THRB (0.51) THRBTHRA
SCHEMBL6856728 0.82 PTGDR2 (0.38) THRBTHRAALDH1A1
SCHEMBL6852992 0.82 THRA (0.57) THRBTHRAALDH1A1
SCHEMBL23003762 0.82 THRB (0.66) THRBTHRA
SCHEMBL6854042 0.81 THRA (0.40) THRBTHRAALDH1A1
SCHEMBL7569701 0.76 GAA (0.41) ALDH1A1
SCHEMBL23003721 0.76 THRB (0.57) THRBTHRA
SCHEMBL20601960 0.74 THRB (0.67) THRBTHRA

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 THRB 4614/4885THRA 4665/4885ALDH1A1 922/4885

“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.