SCHEMBL20127155

SCHEMBL20127155

CC(C)COCC(O)CSCCOCCOCCSCC(O)COCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PLA2G4B P0C869 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL16948462 0.83 PLA2G4B (0.34) HSD17B10PLA2G4BKDM4E
SCHEMBL16944224 0.79
SCHEMBL12055916 0.76 HSD17B10 (0.32) HSD17B10PLA2G4B
SCHEMBL17188290 0.76
SCHEMBL12353679 0.76 HSD17B10 (0.30) HSD17B10
SCHEMBL19741473 0.75 CA1 (0.50)
SCHEMBL17188517 0.75 USP2 (0.33) PLA2G4B
SCHEMBL21676039 0.74 USP2 (0.42) HSD17B10PLA2G4B
SCHEMBL21676045 0.74 TDP1 (0.32)
SCHEMBL23344461 0.74 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134843-A1 AQUEOUS POLYGLYCIDOL SYNTHESIS WITH ULTRA-LOW BRANCHING VANDERBILT UNIVERSITY 2018-05-17 US disclosed
US-20180125983-A1 Linear Polyester and Semi-Linear Glycidol Polymer Systems: Formulation and Synthesis of Novel Monomers and Macromolecular Structures UNIV VANDERBILT (US) 2018-05-10 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-20180125983-A1 Linear Polyester and Semi-Linear Glycidol Polymer Systems: Formulation and Synthesis of Novel Monomers and Macromolecular Structures STT3A, STT3B, B3GAT3 HSD17B10 1527/4885L3MBTL1 3429/4885PLA2G4B 4698/4885

“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.