SCHEMBL12304897

SCHEMBL12304897

CCCCCCCOCCCCCCNC(=O)N[C@H](CC(=O)OCC(C)C)C[N+](C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CPT2 P23786 3/20 0.60
▸ CPT1A P50416 3/20 0.60
▸ CPT1B Q92523 3/20 0.60
▸ EPHX1 P07099 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ EPHX2 P34913 2/20 0.39
▸ TSHR P16473 1/20 0.39

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
Formic Acid SCHEMBL1580890 0.95 CPT2 (0.57) CPT2CPT1ACPT1BEPHX1MAPT
SCHEMBL12304894 0.94 CPT2 (0.66) CPT2CPT1ACPT1BEPHX1EPHX2
SCHEMBL13522724 0.88 CPT2 (0.51) CPT2CPT1ACPT1BEPHX1MAPT
SCHEMBL12304891 0.85 CPT2 (0.47) CPT2CPT1ACPT1BEPHX2
SCHEMBL12304896 0.84 CPT2 (0.67) CPT2CPT1ACPT1BEPHX1MAPT
SCHEMBL12304909 0.84 CPT2 (0.67) CPT2CPT1ACPT1BEPHX1MAPT
SCHEMBL1580325 0.84 CPT2 (0.61) CPT2CPT1ACPT1BEPHX1MAPT
Formic Acid SCHEMBL1580380 0.83 CPT2 (0.49) CPT2CPT1ACPT1BEPHX1MAPT
SCHEMBL1579627 0.83 CPT2 (0.86) CPT2CPT1ACPT1B
SCHEMBL2453804 0.83 CPT2 (0.86) CPT2CPT1ACPT1B

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-20110230555-A1 Enzyme Inhibitors and the Use Thereof DARA BIOSCIENCES, INC. 2011-09-22 — — US disclosed
WO-2010008473-A1 ENZYME INHIBITORS AND THE USE THEREOF DARA BIOSCIENCES, INC. (US) 2010-01-21 — — WO 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-20110230555-A1 Enzyme Inhibitors and the Use Thereof GAA, CYP17A1, HSD17B11 CPT2 1556/4885CPT1A 466/4885CPT1B 842/4885

“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.

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