SCHEMBL3452865

SCHEMBL3452865

Cc1cc(C(C)(C)c2ccc(C(C)(c3cc(C)c(O)c(C(c4cc(C)c(O)c(C)c4C)c4cc(C)c(O)c(C)c4C)c3)c3cc(C)c(O)c(C(c4cc(C)c(O)c(C)c4C)c4cc(C)c(O)c(C)c4C)c3)cc2)cc(C(c2cc(C)c(O)c(C)c2C)c2cc(C)c(O)c(C)c2C)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.37
ESR2 Q92731 5/20 0.36
RORC P51449 1/20 0.34
CYP3A4 P08684 3/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
AR P10275 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
ESRRG P62508 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 0.85 ESR1 (0.42) ESR1ESR2RORCCYP3A4HPGD
SCHEMBL3451604 0.83 ESR1 (0.40) ESR1ESR2RORCCYP3A4HPGD
SCHEMBL3450975 0.82 ESR1 (0.42) ESR1ESR2RORCCYP3A4HPGD
SCHEMBL3452260 0.81 ESR1 (0.35) ESR1ESR2RORCCYP3A4HPGD
SCHEMBL3450896 0.81 ESR1 (0.41) ESR1ESR2RORCCYP3A4HPGD
SCHEMBL3453490 0.79 MMP1 (0.32)
SCHEMBL3453034 0.78 ESR1 (0.49) ESR1ESR2RORCCYP3A4HPGD
SCHEMBL2314239 0.78 ESR1 (0.52) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL3450665 0.77 ESR1 (0.37) ESR1ESR2RORCCYP3A4HPGD
SCHEMBL12299305 0.77 ESR1 (0.47) ESR1ESR2CYP3A4HPGDTSHR

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.