SCHEMBL3965130

SCHEMBL3965130

COC(C)N[C@@H]1CCCC[C@H]1NC(C)OC

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PIM1 P11309 1/20 0.33

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
SCHEMBL5478634 0.80 GAA (0.41) KDM4E
SCHEMBL29013137 0.78 GAA (0.39) KDM4E
SCHEMBL4417021 0.75 PIM1 (0.42) KDM4EPIM1
SCHEMBL13303583 0.75 PIM1 (0.42) KDM4EPIM1
SCHEMBL20061124 0.75 PIM1 (0.42) KDM4EPIM1
SCHEMBL20061161 0.74 KDM4E (0.34) KDM4EPIM1
SCHEMBL20061147 0.74 KDM4E (0.34) KDM4EPIM1
SCHEMBL25795988 0.73
SCHEMBL22647693 0.73 PIM1 (0.41) KDM4EPIM1
Hydrochloric Acid SCHEMBL6656735 0.70 PIM1 (0.40) KDM4EPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692149-B1 METHOD FOR PRODUCING ORTHOMETALATED AND ORTHOSUBSTITUTED AROMATIC COMPOUNDS SOLVIAS AG (CH) 2009-07-22 EP disclosed
US-7435840-B2 Method for producing orthometalated and orthosubstituted metallocenes SOLVIAS AG (CH) 2008-10-14 US disclosed
US-20070149796-A1 Ortho-functionalized mono- and diphosphino- ferrocenes, bisindenylferrocenes and ruthenocenes and their borane complex intermediates; valuable ligands for metal complexes serving as catalysts for, e.g. enantioselective hydrogenations SOLVIAS AG (CH) 2007-06-28 US disclosed
EP-1692149-A2 METHOD FOR PRODUCING ORTHOMETALATED AND ORTHOSUBSTITUTED AROMATIC COMPOUNDS Solvias AG (CH) 2006-08-23 EP disclosed
WO-2005056566-A2 METHOD FOR PRODUCING ORTHOMETALATED AND ORTHOSUBSTITUTED AROMATIC COMPOUNDS SOLVIAS AG (CH) 2005-06-23 WO 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-20070149796-A1 Ortho-functionalized mono- and diphosphino- ferrocenes, bisindenylferrocenes and ruthenocenes and their borane complex intermediates; valuable ligands for metal complexes serving as catalysts for, e.g. enantioselective hydrogenations BCL3, ORC3, BBC3 KDM4E 3570/4885PIM1 2491/4885

“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.