SCHEMBL3452242

SCHEMBL3452242

COc1cc(C(c2ccc(O)c(OC)c2)c2cc(C(C)(C)c3ccc(C(C)(c4cc(C)c(O)c(C(c5ccc(O)c(OC)c5)c5ccc(O)c(OC)c5)c4)c4cc(C)c(O)c(C(c5ccc(O)c(OC)c5)c5ccc(O)c(OC)c5)c4)cc3)cc(C)c2O)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.41
TYR P14679 2/20 0.41
ACHE P22303 2/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
BLM P54132 2/20 0.39
NFKB1 P19838 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PMP22 Q01453 1/20 0.38
RORC P51449 1/20 0.37
NQO1 P15559 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 1/20 0.36
SLC22A3 O75751 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MGAM O43451 1/20 0.35

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
SCHEMBL3453034 0.87 ESR1 (0.49) TSHRCYP3A4RORCESR1ESR2
SCHEMBL3451957 0.83 ESR1 (0.39) TYRTSHRCYP3A4RORCESR1
SCHEMBL3451466 0.83 ESR1 (0.44) GAARORCESR1ALDH1A1MGAM
SCHEMBL3452513 0.82 THRA (0.42) BCHETYRACHEGAATSHR
SCHEMBL3450975 0.78 ESR1 (0.42) TSHRCYP3A4RORCESR1ESR2
SCHEMBL3452272 0.77 ESR1 (0.37) RORCESR1ESR2
SCHEMBL3450896 0.77 ESR1 (0.41) GAATSHRCYP3A4RORCESR1
SCHEMBL3451604 0.76 ESR1 (0.40) TSHRCYP3A4RORCESR1ESR2
SCHEMBL3452403 0.75 ESR1 (0.42) TSHRCYP3A4NPSR1RORCESR1
SCHEMBL3452865 0.74 ESR1 (0.37) TSHRCYP3A4RORCESR1ESR2

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 BCHE 3111/4885TYR 17/4885ACHE 3192/4885

“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.