SCHEMBL2194550

SCHEMBL2194550

Cc1cc(C(c2cc(C)c(O)cc2C)c2cc(C3(c4cc(C)c(OCC(=O)OCC(=O)OC5(C)C6CC7CC(C6)CC5C7)c(C(c5cc(C)c(O)cc5C)c5cc(C)c(O)cc5C)c4)CCC(C4CCC(c5cc(C)c(OCC(=O)OCC(=O)OC6(C)C7CC8CC(C7)CC6C8)c(C(c6cc(C)c(O)cc6C)c6cc(C)c(O)cc6C)c5)(c5cc(C)c(OCC(=O)OCC(=O)OC6(C)C7CC8CC(C7)CC6C8)c(C(c6cc(C)c(O)cc6C)c6cc(C)c(O)cc6C)c5)CC4)CC3)cc(C)c2OCC(=O)OCC(=O)OC2(C)C3CC4CC(C3)CC2C4)c(C)cc1O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.30
CYP19A1 P11511 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
SCHEMBL2194539 0.95 CYP17A1 (0.32) CYP17A1CYP19A1
SCHEMBL2198350 0.93
SCHEMBL2192926 0.89
SCHEMBL2192174 0.84
SCHEMBL17435984 0.83
SCHEMBL2194181 0.82
SCHEMBL2194543 0.82
SCHEMBL2194309 0.80 THRA (0.35)
SCHEMBL2193718 0.80
SCHEMBL2193695 0.79

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 3 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-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

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 CYP17A1 409/4885CYP19A1 477/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT CYP17A1 1740/4885CYP19A1 1133/4885

“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.