SCHEMBL3278057

SCHEMBL3278057

O=CC1COCCN1C=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 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
SCHEMBL27638604 0.83
SCHEMBL27524556 0.77
SCHEMBL12039277 0.74
SCHEMBL12665760 0.74
SCHEMBL17861575 0.74
SCHEMBL12989432 0.74
SCHEMBL11624177 0.74
SCHEMBL21865053 0.74
SCHEMBL21865019 0.74
SCHEMBL22275454 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696349-B2 Method for asymmetric synthesis BASF SE (DE) 2010-04-13 US disclosed
US-20090326226-A1 METHOD FOR ASYMMETRIC SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 2009-12-31 US disclosed
EP-1689760-B1 METHOD FOR ASYMMETRIC SYNTHESIS BASF SE (DE) 2009-10-28 EP disclosed
US-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION BASF AKTIENGESELLSCHAFT (DE) 2009-09-10 US disclosed
US-7442842-B2 Method for asymmetric synthesis BASF SE (DE) 2008-10-28 US disclosed
US-20070073092-A1 Method for asymmetric synthesis BASF AKTIENGESELLSCHAFT (DE) 2007-03-29 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 (3 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-20070073092-A1 Method for asymmetric synthesis COASY, PIN1, INF2 PDK1 2641/4885
US-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION PFKFB3, PHPT1, PFKFB4 PDK1 1312/4885
US-20090326226-A1 METHOD FOR ASYMMETRIC SYNTHESIS COASY, PIN1, INF2 PDK1 2641/4885

“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.