SCHEMBL3451790

SCHEMBL3451790

Cc1cc(C(c2cc(C)c(O)cc2C)c2cc(C(C)(C)c3ccc(C(C)(c4cc(C)c(OCc5cccc6c(C(=O)O)cccc56)c(C(c5cc(C)c(O)cc5C)c5cc(C)c(O)cc5C)c4)c4cc(C)c(OCc5cccc6c(C(=O)O)cccc56)c(C(c5cc(C)c(O)cc5C)c5cc(C)c(O)cc5C)c4)cc3)cc(C)c2OCc2cccc3c(C(=O)O)cccc23)c(C)cc1O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.36
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MCL1 Q07820 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
SCHEMBL3452356 0.81 RXRA (0.41) MRGPRX4
SCHEMBL2192012 0.80 THRA (0.38) ESR1ESR2
SCHEMBL12258191 0.78 ESR1 (0.33) ESR1ESR2
SCHEMBL13400794 0.77 ESR1 (0.35) ESR1ESR2
SCHEMBL3452486 0.75 THRA (0.38) ESR1ESR2
SCHEMBL930522 0.74 RXRA (0.43) MRGPRX4
SCHEMBL3452453 0.74 THRB (0.40) ESR1ESR2
SCHEMBL3452257 0.73 ELANE (0.36) ESR1ESR2
SCHEMBL3452134 0.71 MRGPRX4 (0.36) MRGPRX4
SCHEMBL3452403 0.70 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 MRGPRX4 3936/4885ESR1 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.