SCHEMBL6854527

SCHEMBL6854527

Cc1cc(OCCC(=O)O)cc(C)c1Oc1ccc(O)c(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.45
THRB P10828 7/20 0.45
MCL1 Q07820 3/20 0.42
LTA4H P09960 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37

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
SCHEMBL6852992 0.90 THRA (0.57) THRATHRBMCL1
SCHEMBL6738420 0.85 THRA (0.44) THRATHRBL3MBTL1MMP2MMP9
SCHEMBL6853009 0.85 THRA (0.45) THRATHRBMMP2MMP1MMP3
SCHEMBL6735849 0.83 THRA (0.50) THRATHRB
SCHEMBL6735850 0.83 THRA (0.50) THRATHRB
SCHEMBL6854843 0.82 THRA (0.41) THRATHRBMCL1L3MBTL1
SCHEMBL6854274 0.82 PPARA (0.41) THRATHRBL3MBTL1
SCHEMBL6854726 0.81 THRB (0.43) THRATHRBL3MBTL1
SCHEMBL1642319 0.81 THRA (0.59) THRATHRB
SCHEMBL4961754 0.81 GAA (0.41) THRATHRBL3MBTL1MMP2MMP1

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 THRA 4665/4885THRB 4614/4885MCL1 450/4885

“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.