SCHEMBL3452776

SCHEMBL3452776

CCc1cc(C(C)(C)c2ccc(C(C)(c3cc(C=O)c(O)c(CC)c3)c3cc(C=O)c(O)c(CC)c3)cc2)cc(C=O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.37
ESR2 Q92731 7/20 0.37
ALOX15 P16050 3/20 0.37
KLF10 Q13118 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
ERN1 O75460 3/20 0.35
CYP3A4 P08684 3/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
AR P10275 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR6 P50406 1/20 0.34
ESRRG P62508 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CACNA1B Q00975 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL3452569 0.88 ESR1 (0.40) ESR1ESR2ALOX15KLF10MAPK1
SCHEMBL3452130 0.87 ATM (0.34) ESR1ESR2ALOX15KLF10MAPK1
SCHEMBL5523863 0.86 ALOX15 (0.49) ESR1ESR2ALOX15KLF10MAPK1
SCHEMBL250233 0.84 ERN1 (0.42) ESR1ESR2ALOX15ERN1CYP3A4
SCHEMBL3453650 0.81 PTGS2 (0.41) ESR1ESR2ALOX15MAPK1ERN1
SCHEMBL3451808 0.81 KLF10 (0.51) ESR1ESR2ALOX15KLF10MAPK1
SCHEMBL13257366 0.81 ESR1 (0.41) ESR1ESR2ALOX15KLF10MAPK1
SCHEMBL3452989 0.80 RORC (0.52) ESR1ESR2HTTERN1CYP3A4
SCHEMBL1228603 0.80 CYP2C19 (0.44) ESR1ESR2ERN1TSHRHSD17B10
SCHEMBL5017360 0.79 ALOX15 (0.55) ESR1ESR2ALOX15KLF10MAPK1

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 382/4885ALOX15 1719/4885

“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.