SCHEMBL19647580

SCHEMBL19647580

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.33
ACLY P53396 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL19275048 0.84 GAA (0.48) GAA
SCHEMBL19526834 0.83 GAA (0.33) GAA
SCHEMBL10456471 0.83 GAA (0.50) GAACYP2C9TSHRALDH1A1CYP2D6
SCHEMBL10237493 0.79 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL536613 0.78 GAA (0.46) GAATSHRALDH1A1
SCHEMBL43112 0.78 GAA (0.46) GAATSHRALDH1A1
SCHEMBL9465473 0.76 GAA (0.44) GAATSHRALDH1A1
SCHEMBL10151250 0.75 TSHR (0.34) ACLYTSHRALDH1A1HIF1A
SCHEMBL10046620 0.74 GAA (0.43) GAACYP2C9TSHRCYP2D6CYP2C19
SCHEMBL18250840 0.74 GAA (0.43) GAA

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-20180016285-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, LLC 2018-01-18 US disclosed
EP-2164331-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-11-29 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-20180016285-A1 Boron-Containing Small Molecules BCL6B, BLVRB, BCL6 GAA 341/4885CYP2C9 4822/4885ACLY 3554/4885

“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.