SCHEMBL3283444

SCHEMBL3283444

CC(C)=NCC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
DGAT1 O75907 1/20 0.32
GAA P10253 1/20 0.32
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL2151811 0.78 CYP2D6 (0.31) CYP2D6CA2CA1CA7DGAT1
SCHEMBL10512876 0.78 DGAT1 (0.36) CYP2D6CA2CA1CA7DGAT1
SCHEMBL1580190 0.77 NOS1 (0.33) CYP2D6CA2CA1CA7
SCHEMBL14945698 0.76 DGAT1 (0.34) CYP2D6CA2CA1CA7DGAT1
SCHEMBL12033651 0.74 DGAT1 (0.33) CYP2D6CA2DGAT1HDAC3HDAC1
SCHEMBL17643549 0.74 CYP2D6 (0.37) CYP2D6CA2DGAT1HDAC3HDAC1
SCHEMBL5676122 0.74
SCHEMBL5896909 0.74 CYP2D6 (0.32) CYP2D6CA2CA1CA7DGAT1
SCHEMBL5896905 0.74 CYP2D6 (0.32) CYP2D6CA2CA1CA7DGAT1
SCHEMBL12865444 0.73

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-7709678-B2 Method for producing asymmetric alkyl compound using alkali-treated solid support, and alkali-treated solid support used in this method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-05-04 US disclosed
US-20070225157-A1 Method for Producing Asymmetric Alkyl Compound Using Alkali-Treated Solid SAupport, and Alkali-Treated Solid Support Used in this Method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-09-27 US disclosed
EP-1693362-A1 PROCESS FOR PRODUCTION OF ASYMMETRIC ALKYL COMPOUNDS WITH ALKALI-TREATED SOLID CARRIER AND ALKALI-TREATED SOLID CARRIER TO BE USED IN THE PROCESS Japan Science and Technology Agency (JP) 2006-08-23 EP 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-20070225157-A1 Method for Producing Asymmetric Alkyl Compound Using Alkali-Treated Solid SAupport, and Alkali-Treated Solid Support Used in this Method AGPAT5, SKP1, NPEPPS CYP2D6 3393/4885CA2 477/4885CA1 1152/4885

“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.