SCHEMBL2195587

SCHEMBL2195587

COC(=O)COc1c(C)cc(C2(c3cc(C)c(OCC(=O)OC)c(C(c4cc(C)c(O)cc4C)c4cc(C)c(O)cc4C)c3)CCC(c3cc(C)c(OCC(=O)OC)c(C(c4cc(C)c(O)cc4C)c4cc(C)c(O)cc4C)c3)(c3cc(C)c(OCC(=O)OC)c(C(c4cc(C)c(O)cc4C)c4cc(C)c(O)cc4C)c3)CC2)cc1C(c1cc(C)c(O)cc1C)c1cc(C)c(O)cc1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
HMGCR P04035 1/20 0.31
LMNA P02545 1/20 0.30
ACHE P22303 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
SCHEMBL2194181 0.93
SCHEMBL2197309 0.91
SCHEMBL2194529 0.90
SCHEMBL2191960 0.89 THRA (0.38) ESR1ESR2ACHE
SCHEMBL17449443 0.86 THRA (0.30)
SCHEMBL2192206 0.84
SCHEMBL2195595 0.83 ESR1 (0.33) ESR1ESR2LMNAACHE
SCHEMBL2194309 0.82 THRA (0.35)
SCHEMBL12419964 0.81
SCHEMBL2196328 0.81 THRA (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT MMP1 3736/4885MMP9 4594/4885MMP8 2158/4885

“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.