SCHEMBL3452569

SCHEMBL3452569

CCc1cc(C(C)(C)c2cccc(C(C)(c3cc(C=O)c(O)c(CC)c3)c3cc(C=O)c(O)c(CC)c3)c2)cc(C=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALOX15 P16050 2/20 0.35
KLF10 Q13118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PTPN5 P54829 1/20 0.34
ERN1 O75460 10/20 0.33
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
TLR6 Q9Y2C9 1/20 0.31
ALOX12 P18054 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL3452776 0.88 ESR1 (0.37) ESR1ESR2GABRA1GABRB2ALOX15
SCHEMBL3452359 0.85 ESR1 (0.42) ESR1ESR2ALOX15ERN1TLR2
SCHEMBL3452255 0.83 ESR1 (0.41) ESR1ESR2MAPK1ERN1ALOX12
SCHEMBL5026246 0.81 GABRA1 (0.57) ESR1ESR2GABRA1GABRB2ALOX15
SCHEMBL3452572 0.81 ESR1 (0.39) ESR1ESR2GABRA1GABRB2ALOX15
SCHEMBL3451314 0.77 ESR1 (0.50) ESR1ESR2ALOX15KLF10ERN1
SCHEMBL1228603 0.77 CYP2C19 (0.44) ESR1ESR2GABRA1GABRB2ERN1
SCHEMBL3453280 0.76 PTPN5 (0.36) ESR1ESR2PTPN5ERN1MAPT
SCHEMBL3452130 0.75 ATM (0.34) ESR1ESR2GABRA1GABRB2ALOX15
SCHEMBL18218326 0.74 ALOX15 (0.46) ALOX15KLF10MAPK1HTTERN1

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 382/4885GABRA1 3556/4885

“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.