SCHEMBL12426592

SCHEMBL12426592

COC[C@@H]1CCO[C@H](C)O1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
HTT P42858 1/20 0.34
PDK1 Q15118 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7931207 1.00 CHRM2 (0.35) CHRM2CHRM5CHRM1TSHRMAPK1
SCHEMBL1936624 0.78
SCHEMBL30189856 0.77
SCHEMBL19404112 0.77
SCHEMBL6303714 0.77
SCHEMBL7933698 0.76 ALDH1A1 (0.56) CHRM2CHRM5CHRM1TSHRMAPK1
SCHEMBL7931289 0.76 PDK1 (0.42) CHRM2CHRM5CHRM1TSHRMAPK1
SCHEMBL16297461 0.76
SCHEMBL22454917 0.76
SCHEMBL12386520 0.75 PDK1 (0.32) PDK1

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
US-7994355-B2 Metallocene-based chiral phosphine or arsine ligands SOLVIAS AG (CH) 2011-08-09 US disclosed
US-7982064-B2 Method for preparing ortho-substituted aminoferrocenes BROCK UNIVERSITY (CA) 2011-07-19 US disclosed
US-20100137588-A1 METHOD FOR PREPARING ORTHO-SUBSTITUTED AMINOFERROCENES BROCK UNIVERSITY (CA) 2010-06-03 US disclosed
EP-1709054-B1 METALLOCENE-BASED CHIRAL PHOSPHINE OR ARSINE LIGANDS PHOENIX CHEMICALS LTD (GB) 2009-03-04 EP disclosed
US-20070161762-A1 Metallocene-based chiral phosphine or arsine ligands PHOENIX CHEMICALS LIMITED (GB) 2007-07-12 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-20100137588-A1 METHOD FOR PREPARING ORTHO-SUBSTITUTED AMINOFERROCENES LPO, AOC1, AOC2 CHRM2 4339/4885CHRM5 4269/4885CHRM1 4130/4885
US-20070161762-A1 Metallocene-based chiral phosphine or arsine ligands OSGEP, PHOSPHO1, ITPA CHRM2 1024/4885CHRM5 697/4885CHRM1 394/4885

“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.