SCHEMBL3452257

SCHEMBL3452257

COc1cc(C(C)(C)c2ccc(C(C)(c3cc(OC)c(OCC(=O)O)c(C(c4cc(C)c(O)cc4C)c4cc(C)c(O)cc4C)c3)c3cc(OC)c(OCC(=O)O)c(C(c4cc(C)c(O)cc4C)c4cc(C)c(O)cc4C)c3)cc2)cc(C(c2cc(C)c(O)cc2C)c2cc(C)c(O)cc2C)c1OCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 3/20 0.33
PTPN2 P17706 2/20 0.33
PTPN6 P29350 2/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CD69 Q07108 1/20 0.32
PPARD Q03181 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
SCHEMBL2192012 0.91 THRA (0.38) ELANETHRATHRBPTPN1PTPN2
SCHEMBL3452453 0.89 THRB (0.40) ELANETHRATHRBSMN1; SMN2ESR1
SCHEMBL3452486 0.86 THRA (0.38) ELANETHRATHRBPTPN1PTPN2
SCHEMBL13400794 0.83 ESR1 (0.35) KDM4EKMT2AESR1ESR2
SCHEMBL12258191 0.83 ESR1 (0.33) ESR1ESR2
SCHEMBL3451489 0.82 PTGDR2 (0.42) ELANETHRATHRBCD69
SCHEMBL3452272 0.82 ESR1 (0.37) ALOX15ESR1ESR2
SCHEMBL3452513 0.81 THRA (0.42) THRATHRBTSHR
SCHEMBL3451321 0.79 THRA (0.41) ELANETHRATHRBHPGDCYP2C19
SCHEMBL3451941 0.79 THRA (0.39) ELANETHRATHRBPTPN1CYP2C19

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 ELANE 4446/4885THRA 1846/4885THRB 3036/4885

“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.