SCHEMBL2191960

SCHEMBL2191960

Cc1cc(C(c2cc(C)c(O)cc2C)c2cc(C3(c4cc(C)c(OCC(=O)O)c(C(c5cc(C)c(O)cc5C)c5cc(C)c(O)cc5C)c4)CCC(c4cc(C)c(OCC(=O)O)c(C(c5cc(C)c(O)cc5C)c5cc(C)c(O)cc5C)c4)(c4cc(C)c(OCC(=O)O)c(C(c5cc(C)c(O)cc5C)c5cc(C)c(O)cc5C)c4)CC3)cc(C)c2OCC(=O)O)c(C)cc1O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.38
THRB P10828 5/20 0.38
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
ELANE P08246 2/20 0.32
CD69 Q07108 2/20 0.32
ACHE P22303 1/20 0.31
PPARA Q07869 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL2194309 0.93 THRA (0.35) THRATHRB
SCHEMBL2196328 0.91 THRA (0.34) THRATHRB
SCHEMBL2193259 0.89 THRA (0.33) THRATHRBELANECD69
SCHEMBL2195587 0.89 MMP1 (0.32) ESR1ESR2ACHE
SCHEMBL13577593 0.88 THRA (0.32) THRATHRB
SCHEMBL13577602 0.88 THRA (0.31) THRATHRB
SCHEMBL12419989 0.85 THRA (0.31) THRATHRB
SCHEMBL17449529 0.85 THRA (0.31) THRATHRB
SCHEMBL17449443 0.84 THRA (0.30) THRATHRB
SCHEMBL2196326 0.84 THRA (0.33) THRATHRBELANECD69

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522868-B2 Tetrakis(ether-substituted formylphenyl) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-12-20 US disclosed
US-9522868-B2 Tetrakis(ether-substituted formylphenyl) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-12-20 US disclosed
US-9522868-B2 Tetrakis(ether-substituted formylphenyl) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-12-20 US disclosed
US-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-01-21 US disclosed
US-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-01-21 US disclosed
US-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-01-21 US disclosed
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-14 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 (2 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-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AHR, PAH, ALK THRA 270/4885THRB 524/4885ESR1 502/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT THRA 1925/4885THRB 2189/4885ESR1 541/4885

“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.