SCHEMBL3457282

SCHEMBL3457282

COc1cc(C(C)(C)c2ccc(C(C)(c3cc(C=O)c(OCC(=O)OC(C)(C)C)c(OC)c3)c3cc(C=O)c(OCC(=O)OC(C)(C)C)c(OC)c3)cc2)cc(C=O)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.34
MTNR1A P48039 5/20 0.33
MTNR1B P49286 5/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
POLB P06746 1/20 0.33
TNFRSF1A P19438 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
SCHEMBL3453686 0.91 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL2192769 0.80 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19MAPTKDM4E
SCHEMBL13015702 0.77 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19MAPTKDM4E
SCHEMBL3453804 0.75 ERN1 (0.51) ERN1
SCHEMBL3452375 0.75 SMN1; SMN2 (0.40) ALDH1A1CYP1A2CYP2C19PTPN1
SCHEMBL3453009 0.73 ALDH1A1 (0.56) ALDH1A1CYP1A2MAPTKDM4EMEN1
SCHEMBL3451820 0.73 PTGDR2 (0.44) ALDH1A1CYP1A2CYP2C19MAPTKDM4E
SCHEMBL5556288 0.72 PSEN1 (0.51) ALDH1A1CYP1A2GAAMAPTKDM4E
SCHEMBL13400793 0.72 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP2C19MAPTKDM4E
SCHEMBL14501995 0.72 ALDH1A1 (0.48) ALDH1A1CYP2C19GAAL3MBTL1MAPK1

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 1711/4885CYP1A2 568/4885CYP2C19 2530/4885

“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.