SCHEMBL3451941

SCHEMBL3451941

Cc1cc(C(C)(C)c2ccc(C(C)(c3cc(C)c(OCC(=O)O)c(C(c4ccc(O)c(O)c4O)c4ccc(O)c(O)c4O)c3)c3cc(C)c(OCC(=O)O)c(C(c4ccc(O)c(O)c4O)c4ccc(O)c(O)c4O)c3)cc2)cc(C(c2ccc(O)c(O)c2O)c2ccc(O)c(O)c2O)c1OCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.39
THRB P10828 6/20 0.39
CD69 Q07108 2/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ELANE P08246 1/20 0.34
RORC P51449 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARD Q03181 1/20 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
SCHEMBL3451321 0.88 THRA (0.41) THRATHRBCD69ESR1ESR2
SCHEMBL3452486 0.88 THRA (0.38) THRATHRBCD69ESR1ESR2
SCHEMBL2192012 0.87 THRA (0.38) THRATHRBCD69ESR1ESR2
SCHEMBL3453559 0.83 CD69 (0.35) THRATHRBCD69SMN1; SMN2ELANE
SCHEMBL3452513 0.82 THRA (0.42) THRATHRB
SCHEMBL3452453 0.80 THRB (0.40) THRATHRBCD69ESR1ESR2
SCHEMBL3450975 0.80 ESR1 (0.42) ESR1ESR2RORC
SCHEMBL3452510 0.79 PTGDR2 (0.41) THRATHRBCD69ELANE
SCHEMBL3452257 0.79 ELANE (0.36) THRATHRBCD69ESR1ESR2
SCHEMBL12258191 0.78 ESR1 (0.33) ESR1ESR2RORC

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 THRA 1846/4885THRB 3036/4885CD69 39/4885

“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.