SCHEMBL3453718

SCHEMBL3453718

Cc1cc(C(C)(C)c2ccc(C(C)(c3cc(C)c(OCc4ccc(C(=O)O)cc4)c(C(c4ccc(O)c(C(C)(C)C)c4)c4ccc(O)c(C(C)(C)C)c4)c3)c3cc(C)c(OCc4ccc(C(=O)O)cc4)c(C(c4ccc(O)c(C(C)(C)C)c4)c4ccc(O)c(C(C)(C)C)c4)c3)cc2)cc(C(c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)c1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.41
RXRB P28702 7/20 0.41
NR4A2 P43354 2/20 0.41
RXRG P48443 5/20 0.39
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
GCGR P47871 2/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
RARA P10276 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
ESRRG P62508 1/20 0.33
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 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
SCHEMBL3452018 0.92 RXRA (0.40) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL3452356 0.84 RXRA (0.41) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL3453032 0.81 RXRA (0.40) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL930522 0.78 RXRA (0.43) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL3452350 0.77 ALOX5AP (0.36) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL3451957 0.76 ESR1 (0.39) KDM4EMAPTHTT
SCHEMBL3452513 0.74 THRA (0.42) NPSR1
SCHEMBL3451941 0.69 THRA (0.39)
SCHEMBL3451321 0.69 THRA (0.41) HTT
SCHEMBL3452486 0.69 THRA (0.38) KMT2A

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 RXRA 197/4885RXRB 343/4885NR4A2 72/4885

“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.