SCHEMBL3451706

SCHEMBL3451706

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.38
RORC P51449 1/20 0.37
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
CYP3A4 P08684 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 2/20 0.32
LMNA P02545 1/20 0.31
GABRA1 P14867 3/20 0.31
GABRB1 P18505 3/20 0.31
GABRB2 P47870 1/20 0.31
GAA P10253 2/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 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
SCHEMBL3452403 0.91 ESR1 (0.42) ESR1ESR2RORCALOX15ALOX12
SCHEMBL3452272 0.84 ESR1 (0.37) ESR1ESR2RORCALOX15ALOX12
SCHEMBL3451604 0.84 ESR1 (0.40) ESR1ESR2RORCALOX15ALOX12
SCHEMBL3450671 0.80 ESR1 (0.33) ESR1ESR2
SCHEMBL3452453 0.80 THRB (0.40) ESR1ESR2
SCHEMBL15625204 0.78 CA1 (0.52) ESR1ESR2RORCCA1CA2
SCHEMBL3452865 0.76 ESR1 (0.37) ESR1ESR2RORCALOX15ALOX12
SCHEMBL3450975 0.75 ESR1 (0.42) ESR1ESR2RORCALOX15ALOX12
SCHEMBL12258191 0.75 ESR1 (0.33) ESR1ESR2RORC
SCHEMBL2192012 0.75 THRA (0.38) ESR1ESR2RORCCYP2C19

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 382/4885RORC 466/4885

“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.