SCHEMBL3452350

SCHEMBL3452350

Cc1cc(O)c(C2CCCCC2)cc1C(c1cc(C2CCCCC2)c(O)cc1C)c1cc(C(C)(C)c2ccc(C(C)(c3cc(C)c(OCc4ccc(C(=O)O)cc4)c(C(c4cc(C5CCCCC5)c(O)cc4C)c4cc(C5CCCCC5)c(O)cc4C)c3)c3cc(C)c(OCc4ccc(C(=O)O)cc4)c(C(c4cc(C5CCCCC5)c(O)cc4C)c4cc(C5CCCCC5)c(O)cc4C)c3)cc2)cc(C)c1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
RXRA P19793 6/20 0.35
RXRB P28702 6/20 0.35
NR4A2 P43354 2/20 0.35
RXRG P48443 5/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
NR4A1 P22736 1/20 0.32
NR4A3 Q92570 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.31
TAOK1 Q7L7X3 1/20 0.31
TAOK3 Q9H2K8 1/20 0.31
PTGDR2 Q9Y5Y4 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 0.87 PTGDR2 (0.41) ALOX5APFEN1THRATHRBPTGDR2
SCHEMBL3452356 0.87 RXRA (0.41) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL930522 0.81 RXRA (0.43) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL3451535 0.80 PTGDR2 (0.39) ALOX5APFEN1THRATHRBPTGDR2
SCHEMBL3452018 0.79 RXRA (0.40) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL3453032 0.79 RXRA (0.40) RXRARXRBNR4A2RXRGTHRB
SCHEMBL3451608 0.78 ESR1 (0.31)
SCHEMBL3451489 0.78 PTGDR2 (0.42) ALOX5APFEN1THRATHRBPTGDR2
SCHEMBL931034 0.78 RXRA (0.44) ALOX5APFEN1RXRARXRBRXRG
SCHEMBL3453718 0.77 RXRA (0.41) RXRARXRBNR4A2RXRGNR4A1

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 ALOX5AP 1930/4885FEN1 1845/4885RXRA 197/4885

“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.