SCHEMBL3453559

SCHEMBL3453559

Cc1cc(C)c(C(c2cc(C(C)(C)c3ccc(C(C)(c4cc(C)c(OCC(=O)O)c(C(c5c(C)cc(C)c(C)c5O)c5c(C)cc(C)c(C)c5O)c4)c4cc(C)c(OCC(=O)O)c(C(c5c(C)cc(C)c(C)c5O)c5c(C)cc(C)c(C)c5O)c4)cc3)cc(C)c2OCC(=O)O)c2c(C)cc(C)c(C)c2O)c(O)c1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 2/20 0.35
THRA P10827 5/20 0.34
THRB P10828 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ELANE P08246 1/20 0.33
CYP2C19 P33261 1/20 0.32
PPARD Q03181 5/20 0.32
PPARA Q07869 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL3451941 0.83 THRA (0.39) CD69THRATHRBSMN1; SMN2ELANE
SCHEMBL3452486 0.82 THRA (0.38) CD69THRATHRBSMN1; SMN2ELANE
SCHEMBL2192012 0.82 THRA (0.38) CD69THRATHRBSMN1; SMN2ELANE
SCHEMBL3451321 0.81 THRA (0.41) CD69THRATHRBSMN1; SMN2ELANE
SCHEMBL3452260 0.80 ESR1 (0.35)
SCHEMBL3452513 0.78 THRA (0.42) THRATHRB
SCHEMBL3453490 0.75 MMP1 (0.32)
SCHEMBL3452453 0.75 THRB (0.40) CD69THRATHRBSMN1; SMN2ELANE
SCHEMBL3452510 0.74 PTGDR2 (0.41) CD69THRATHRBELANE
SCHEMBL3452257 0.74 ELANE (0.36) CD69THRATHRBSMN1; SMN2ELANE

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 CD69 39/4885THRA 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.