SCHEMBL3450671

SCHEMBL3450671

Cc1cc(C(c2cc(C)c(O)cc2C)c2cc(C(C)(C)c3ccc(C(C)(c4cc(C5CCCCC5)c(O)c(C(c5cc(C)c(O)cc5C)c5cc(C)c(O)cc5C)c4)c4cc(C5CCCCC5)c(O)c(C(c5cc(C)c(O)cc5C)c5cc(C)c(O)cc5C)c4)cc3)cc(C3CCCCC3)c2O)c(C)cc1O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.33
ESR2 Q92731 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
SCHEMBL3451608 0.88 ESR1 (0.31) ESR1ESR2
SCHEMBL3452403 0.83 ESR1 (0.42) ESR1ESR2
SCHEMBL3451489 0.83 PTGDR2 (0.42)
SCHEMBL12524314 0.80 KDM4E (0.36) ESR1ESR2
SCHEMBL3451706 0.80 ESR1 (0.40) ESR1ESR2
SCHEMBL3452272 0.77 ESR1 (0.37) ESR1ESR2
SCHEMBL3451604 0.77 ESR1 (0.40) ESR1ESR2
SCHEMBL3452510 0.76 PTGDR2 (0.41)
SCHEMBL3452364 0.75 KLF10 (0.42) ESR1ESR2
SCHEMBL15625203 0.75 ESR1 (0.41) ESR1ESR2

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 ESR1 132/4885ESR2 382/4885

“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.