SCHEMBL3452453

SCHEMBL3452453

Cc1cc(C(c2cc(C)c(O)cc2C)c2cc(C(C)(C)c3ccc(C(C)(c4cc(C(C)C)c(OCC(=O)O)c(C(c5cc(C)c(O)cc5C)c5cc(C)c(O)cc5C)c4)c4cc(C(C)C)c(OCC(=O)O)c(C(c5cc(C)c(O)cc5C)c5cc(C)c(O)cc5C)c4)cc3)cc(C(C)C)c2OCC(=O)O)c(C)cc1O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.40
THRA P10827 11/20 0.40
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ELANE P08246 1/20 0.33
CD69 Q07108 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2192012 0.93 THRA (0.38) THRBTHRAESR1ESR2ELANE
SCHEMBL3452257 0.89 ELANE (0.36) THRBTHRAESR1ESR2ELANE
SCHEMBL3452486 0.88 THRA (0.38) THRBTHRAESR1ESR2ELANE
SCHEMBL12258191 0.85 ESR1 (0.33) ESR1ESR2
SCHEMBL3451489 0.84 PTGDR2 (0.42) THRBTHRAELANECD69
SCHEMBL13400794 0.83 ESR1 (0.35) ESR1ESR2
SCHEMBL3451941 0.80 THRA (0.39) THRBTHRAESR1ESR2ELANE
SCHEMBL3451321 0.80 THRA (0.41) THRBTHRAESR1ESR2ELANE
SCHEMBL3451706 0.80 ESR1 (0.40) ESR1ESR2
SCHEMBL3452510 0.79 PTGDR2 (0.41) THRBTHRAELANECD69

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 THRB 3036/4885THRA 1846/4885ESR1 132/4885

“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.