SCHEMBL3451535

SCHEMBL3451535

Cc1cc(O)c(C2CCCCC2)cc1C(c1cc(C2CCCCC2)c(O)cc1C)c1cc(C(C)(C)c2cccc(C(C)(c3cc(C)c(OCC(=O)O)c(C(c4cc(C5CCCCC5)c(O)cc4C)c4cc(C5CCCCC5)c(O)cc4C)c3)c3cc(C)c(OCC(=O)O)c(C(c4cc(C5CCCCC5)c(O)cc4C)c4cc(C5CCCCC5)c(O)cc4C)c3)c2)cc(C)c1OCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.39
THRB P10828 4/20 0.36
THRA P10827 3/20 0.36
PTGDR Q13258 5/20 0.35
PTGER2 P43116 1/20 0.35
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
FFAR4 Q5NUL3 1/20 0.30
PTPRC P08575 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL3452510 0.93 PTGDR2 (0.41) PTGDR2THRBTHRAPTGDRPTGER2
SCHEMBL3451489 0.83 PTGDR2 (0.42) PTGDR2THRBTHRAPTGDRPTGER2
SCHEMBL3452350 0.80 ALOX5AP (0.36) PTGDR2THRBTHRAALOX5APFEN1
SCHEMBL3452486 0.78 THRA (0.38) THRBTHRAPTPN1
SCHEMBL2192012 0.78 THRA (0.38) THRBTHRAPTPN1
SCHEMBL2191414 0.76 PTGDR2 (0.37) PTGDR2THRBTHRAPTGDRPTGER2
SCHEMBL3451492 0.75 PTGDR2 (0.32) PTGDR2
SCHEMBL3451608 0.75 ESR1 (0.31)
SCHEMBL17435968 0.74 PTGDR2 (0.37) PTGDR2THRBTHRAPTGDRPTGER2
SCHEMBL12567856 0.72 PTGDR2 (0.53) PTGDR2THRBTHRAPTGDRPTGER2

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-7858819-B2 Tris(formylphenyl) and novel polynuclear phenol derived therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-12-28 US disclosed
US-20100099908-A1 TRIS(FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED THEREFROM HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-22 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-20100099908-A1 TRIS(FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED THEREFROM AS3MT, RRM2, SHROOM3 PTGDR2 3160/4885THRB 3036/4885THRA 1846/4885

“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.