SCHEMBL12554716

SCHEMBL12554716

COc1ccc(COC(/C=C\C[C@H](C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]2C/C=C/c2cc(C)cc(C)c2C(=O)OCC[Si](C)(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL12553282 0.91 — —
SCHEMBL12772576 0.90 CYP3A4 (0.32) CYP3A4
SCHEMBL12552478 0.87 CYP3A4 (0.32) CYP3A4
SCHEMBL15150328 0.87 CYP3A4 (0.32) CYP3A4
SCHEMBL12552476 0.87 CYP3A4 (0.32) CYP3A4
SCHEMBL12552477 0.87 CYP3A4 (0.32) CYP3A4
SCHEMBL12554712 0.86 — —
SCHEMBL12553718 0.85 — —
SCHEMBL12771146 0.84 CYP3A4 (0.31) CYP3A4
SCHEMBL12553274 0.82 — —

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-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2013-08-01 — — US disclosed
US-8329742-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2012-12-11 — — US disclosed
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 — — 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-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT1, TBXA2R, VEGFA CYP3A4 1204/4885
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT4, VEGFA, FLT1 CYP3A4 1158/4885

“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.

Send feedback