SCHEMBL3453259

SCHEMBL3453259

Cc1cc(C(C)c2ccc(C(C)(c3cc(C)c(O)c(C=O)c3)c3cc(C)c(O)c(C=O)c3)cc2)cc(C=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.39
TYR P14679 1/20 0.37
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL250233 0.80 ERN1 (0.42) ERN1ESR1ESR2
SCHEMBL3453671 0.77 ALDH1A1 (0.36)
SCHEMBL9177422 0.74 ESR1 (0.50) ERN1ESR1ESR2
SCHEMBL2729726 0.72 ERN1 (0.47) ERN1
SCHEMBL2477063 0.71 ERN1 (0.52) ERN1ESR1ESR2
SCHEMBL3452359 0.71 ESR1 (0.42) ERN1ESR1ESR2PTGS1PTGS2
SCHEMBL3452024 0.71 ERN1 (0.46) ERN1TYR
SCHEMBL3452046 0.70 RORC (0.37) ERN1TYRESR1ESR2
SCHEMBL2618675 0.69 ESR1 (0.55) TYRESR1ESR2PTGS1PTGS2
SCHEMBL13403170 0.68 KLF10 (0.42) ESR1ESR2PDCD1CD274

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 ERN1 3506/4885TYR 17/4885ESR1 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.