SCHEMBL3453280

SCHEMBL3453280

CC(C)(c1cccc(C(C)(c2cc(C=O)c(O)c(C3CCCCC3)c2)c2cc(C=O)c(O)c(C3CCCCC3)c2)c1)c1cc(C=O)c(O)c(C2CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.36
PTPN2 P17706 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ERN1 O75460 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3452895 0.90 KDM4E (0.33) PTPN5PTPN2ERN1KDM4EMEN1
SCHEMBL3452783 0.88 PTGDR2 (0.32) PTPN5ESR1ESR2ERN1KDM4E
SCHEMBL3452359 0.79 ESR1 (0.42) ESR1ESR2ERN1
SCHEMBL3452255 0.77 ESR1 (0.41) ESR1ESR2ERN1MEN1MAPT
SCHEMBL12524314 0.76 KDM4E (0.36) PTPN5PTPN2ESR1ESR2KDM4E
SCHEMBL3452569 0.76 ESR1 (0.40) PTPN5ESR1ESR2ERN1MAPT
SCHEMBL3452572 0.75 ESR1 (0.39) PTPN5ESR1ESR2ERN1MEN1
SCHEMBL9655970 0.74 KDM4E (0.42) PTPN5PTPN2KDM4EMEN1MAPT
SCHEMBL15625203 0.73 ESR1 (0.41) PTPN5PTPN2ESR1ESR2KDM4E
SCHEMBL11629893 0.72 ALOX15 (0.42) PTPN5PTPN2ESR1ESR2KDM4E

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 PTPN5 2155/4885PTPN2 1644/4885ESR1 132/4885

“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.