SCHEMBL3453671

SCHEMBL3453671

COC(=O)COc1c(C)cc(C(C)c2ccc(C(C)(c3cc(C)c(OCC(=O)OC)c(C=O)c3)c3cc(C)c(OCC(=O)OC)c(C=O)c3)cc2)cc1C=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
GAA P10253 1/20 0.31
VDR P11473 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
SCHEMBL2192769 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL3452321 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL13400793 0.77 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL3453259 0.77 ERN1 (0.39)
SCHEMBL3453686 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL3451800 0.74 PSEN1 (0.35) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL3452375 0.74 SMN1; SMN2 (0.40) ALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL13015702 0.72 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL3451820 0.69 PTGDR2 (0.44) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL3453009 0.69 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTKMT2AMEN1

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 ALDH1A1 1711/4885KDM4E 252/4885MAPT 1173/4885

“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.