SCHEMBL6852992

SCHEMBL6852992

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.57
THRB P10828 7/20 0.57
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MCL1 Q07820 2/20 0.40
LPAR2 Q9HBW0 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6854527 0.90 THRA (0.45) THRATHRBMCL1
SCHEMBL6853009 0.88 THRA (0.45) THRATHRBPOLB
SCHEMBL6854843 0.84 THRA (0.41) THRATHRBALDH1A1GAAMCL1
SCHEMBL6854274 0.83 PPARA (0.41) THRATHRBALDH1A1GAAMEN1
SCHEMBL6854726 0.83 THRB (0.43) THRATHRBALDH1A1GAAMEN1
SCHEMBL1642319 0.83 THRA (0.59) THRATHRB
SCHEMBL6738420 0.83 THRA (0.44) THRATHRBALDH1A1GAA
SCHEMBL6514194 0.82 SMN1; SMN2 (0.53) THRATHRBALDH1A1POLBMEN1
SCHEMBL6852990 0.82 THRB (0.58) THRATHRBALDH1A1
SCHEMBL7592718 0.82 SOS1 (0.47) THRATHRBALDH1A1POLBGAA

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 4614/4885ALDH1A1 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.