SCHEMBL3452486

SCHEMBL3452486

Cc1cc(O)c(O)cc1C(c1cc(O)c(O)cc1C)c1cc(C(C)(C)c2ccc(C(C)(c3cc(C)c(OCC(=O)O)c(C(c4cc(O)c(O)cc4C)c4cc(O)c(O)cc4C)c3)c3cc(C)c(OCC(=O)O)c(C(c4cc(O)c(O)cc4C)c4cc(O)c(O)cc4C)c3)cc2)cc(C)c1OCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.38
THRB P10828 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
CD69 Q07108 2/20 0.35
ELANE P08246 1/20 0.35
CYP2C19 P33261 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 1/20 0.33
PTPN1 P18031 5/20 0.32
PTPN2 P17706 2/20 0.32
PTPN6 P29350 2/20 0.32
RORC P51449 1/20 0.32
KMT2A Q03164 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 0.95 THRA (0.38) THRATHRBSMN1; SMN2CD69ELANE
SCHEMBL3452453 0.88 THRB (0.40) THRATHRBSMN1; SMN2CD69ELANE
SCHEMBL3451321 0.88 THRA (0.41) THRATHRBSMN1; SMN2CD69ELANE
SCHEMBL3451941 0.88 THRA (0.39) THRATHRBSMN1; SMN2CD69ELANE
SCHEMBL12258191 0.86 ESR1 (0.33) ESR1ESR2RORC
SCHEMBL3452510 0.86 PTGDR2 (0.41) THRATHRBCD69ELANE
SCHEMBL3452257 0.86 ELANE (0.36) THRATHRBSMN1; SMN2CD69ELANE
SCHEMBL13400794 0.85 ESR1 (0.35) ESR1ESR2RORCKMT2A
SCHEMBL3453559 0.82 CD69 (0.35) THRATHRBSMN1; SMN2CD69ELANE
SCHEMBL3452513 0.82 THRA (0.42) THRATHRB

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 3036/4885SMN1; SMN2 2165/4885

“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.