SCHEMBL3451608

SCHEMBL3451608

Cc1cc(O)c(C2CCCCC2)cc1C(c1cc(C2CCCCC2)c(O)cc1C)c1cc(C(C)(C)c2ccc(C(C)(c3cc(C)c(O)c(C(c4cc(C5CCCCC5)c(O)cc4C)c4cc(C5CCCCC5)c(O)cc4C)c3)c3cc(C)c(O)c(C(c4cc(C5CCCCC5)c(O)cc4C)c4cc(C5CCCCC5)c(O)cc4C)c3)cc2)cc(C)c1O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.31
ESR2 Q92731 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NUDT1 P36639 1/20 0.30
BACE1 P56817 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL3450671 0.88 ESR1 (0.33) ESR1ESR2
SCHEMBL3451604 0.83 ESR1 (0.40) ESR1ESR2
SCHEMBL3452510 0.82 PTGDR2 (0.41)
SCHEMBL3452403 0.81 ESR1 (0.42) ESR1ESR2CYP1A2CYP2D6CYP2C9
SCHEMBL278769 0.79 NUDT1 (0.40) CYP1A2CYP2D6NUDT1BACE1HSP90AA1
SCHEMBL3452350 0.78 ALOX5AP (0.36)
SCHEMBL12524314 0.76 KDM4E (0.36) ESR1ESR2CYP1A2CYP2D6CYP2C9
SCHEMBL5428931 0.76 SHBG (0.37) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL3451535 0.75 PTGDR2 (0.39)
SCHEMBL3450975 0.74 ESR1 (0.42) 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 6 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-7858819-B2 Tris(formylphenyl) and novel polynuclear phenol derived therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-12-28 US disclosed
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
US-20100099908-A1 TRIS(FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED THEREFROM HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-22 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 382/4885CYP1A2 568/4885

“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.