SCHEMBL4008951

SCHEMBL4008951

CC(C)C[C@H](O)[C@H](C)C=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
AKR1B1 P15121 1/20 0.32
ANPEP P15144 3/20 0.31
LAP3 P28838 2/20 0.31
ERAP1 Q9NZ08 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
SCHEMBL1781825 1.00 RNPEP (0.32) RNPEPSLC7A5AKR1B1ANPEPLAP3
SCHEMBL13810635 1.00 RNPEP (0.32) RNPEPSLC7A5AKR1B1ANPEPLAP3
SCHEMBL1784659 0.78 PTPN1 (0.39)
SCHEMBL1782339 0.77 CA1 (0.32) AKR1B1
SCHEMBL1781890 0.77 TSHR (0.41)
SCHEMBL1782616 0.77 GAPDH (0.45)
SCHEMBL1782614 0.77 GAPDH (0.45)
SCHEMBL1189342 0.76
SCHEMBL8890971 0.76
SCHEMBL5840288 0.76

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-7541456-B2 Enolization; dimerization; trimerization; for synthesis of sugar molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-06-02 US disclosed
US-7541456-B2 Enolization; dimerization; trimerization; for synthesis of sugar molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-06-02 US disclosed
US-20050197498-A1 Enolization; dimerization; trimerization; for synthesis of sugar molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-09-08 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 (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-20050197498-A1 Enolization; dimerization; trimerization; for synthesis of sugar molecules DERA, ALDOA, TALDO1 RNPEP 3595/4885SLC7A5 2232/4885AKR1B1 59/4885

“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.