SCHEMBL10197506

SCHEMBL10197506

COC(=O)[C@H]1CCCC1C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.40
CA2 P00918 7/20 0.40
CA9 Q16790 7/20 0.40
DGAT1 O75907 4/20 0.39
P4HB P07237 1/20 0.38
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
LPL P06858 3/20 0.36
LIPG Q9Y5X9 3/20 0.36
HIF1A Q16665 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
F11 P03951 2/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL2306721 1.00 CA1 (0.40) CA1CA2CA9DGAT1P4HB
SCHEMBL595387 1.00 CA1 (0.40) CA1CA2CA9DGAT1P4HB
SCHEMBL1748186 1.00 CA1 (0.40) CA1CA2CA9DGAT1P4HB
SCHEMBL1747985 1.00 CA1 (0.40) CA1CA2CA9DGAT1P4HB
SCHEMBL2635176 0.86 DGAT1 (0.45) CA1CA2CA9DGAT1P4HB
SCHEMBL2635174 0.86 DGAT1 (0.45) CA1CA2CA9DGAT1P4HB
SCHEMBL180740 0.86 DGAT1 (0.45) CA1CA2CA9DGAT1P4HB
SCHEMBL2635172 0.86 DGAT1 (0.45) CA1CA2CA9DGAT1P4HB
SCHEMBL4925389 0.76 USP30 (0.40) DGAT1
SCHEMBL1747953 0.76 SMN1; SMN2 (0.45) DGAT1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT CA1 4568/4885CA2 3545/4885CA9 4050/4885

“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.