SCHEMBL3452255

SCHEMBL3452255

CC(C)(C)c1cc(C(C)(C)c2cccc(C(C)(c3cc(C=O)c(O)c(C(C)(C)C)c3)c3cc(C=O)c(O)c(C(C)(C)C)c3)c2)cc(C=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PTGS2 P35354 7/20 0.39
ALOX5 P09917 6/20 0.39
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
ALOX12 P18054 1/20 0.36
CA2 P00918 1/20 0.35
TNFRSF1A P19438 1/20 0.35
ERN1 O75460 4/20 0.34
PTGS1 P23219 3/20 0.33
HIF1A Q16665 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 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
SCHEMBL3453650 0.87 PTGS2 (0.41) ESR1ESR2PTGS2ALOX5GABBR2
SCHEMBL3452359 0.86 ESR1 (0.42) ESR1ESR2PTGS2ALOX5ALOX12
SCHEMBL931553 0.85 ERN1 (0.44) PTGS2ALOX5GABBR2GABBR1ALOX12
SCHEMBL3452569 0.83 ESR1 (0.40) ESR1ESR2ALOX12ERN1MAPT
SCHEMBL3452572 0.82 ESR1 (0.39) ESR1ESR2ALOX5ALOX12CA2
SCHEMBL30829189 0.79 ESR1 (0.44) ESR1ESR2PTGS2ALOX5ERN1
SCHEMBL3241119 0.79 ESR1 (0.44) ESR1ESR2PTGS2ALOX5ERN1
SCHEMBL3451314 0.79 ESR1 (0.50) ESR1ESR2ALOX12ERN1MAPT
SCHEMBL187267 0.77 ALOX5 (0.49) PTGS2ALOX5GABBR2GABBR1CA2
SCHEMBL29467330 0.77 ALOX5 (0.49) PTGS2ALOX5GABBR2GABBR1CA2

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 ESR1 132/4885ESR2 382/4885PTGS2 1565/4885

“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.