SCHEMBL22130545

SCHEMBL22130545

CCC(C)(CC)c1cccc(B(O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.56
LPL P06858 3/20 0.45
LIPG Q9Y5X9 3/20 0.45
ENPP2 Q13822 8/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
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
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL28786300 0.87 CYP2C19 (0.53) MGLLLPLLIPGENPP2KDM4E
SCHEMBL19663724 0.85 MGLL (0.56) MGLLLPLLIPGENPP2KDM4E
SCHEMBL840219 0.80 MGLL (0.64) MGLLLPLLIPGENPP2KDM4E
SCHEMBL1814249 0.79 MGLL (0.62) MGLLLPLLIPGENPP2KDM4E
SCHEMBL16307074 0.78 MGLL (0.56) MGLLLPLLIPGENPP2KDM4E
SCHEMBL2030291 0.77 MGLL (0.71) MGLLLPLLIPGENPP2KDM4E
SCHEMBL16550399 0.76 LPL (0.50) MGLLLPLLIPGENPP2CA1
SCHEMBL28786301 0.76 MGLL (0.50) MGLLLPLLIPGENPP2KDM4E
SCHEMBL19663684 0.75 MGLL (0.45) MGLLLPLLIPGENPP2KDM4E
SCHEMBL14395956 0.75 KCNN4 (0.44)

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-10689404-B1 Preparation method of tetraboronic acid compounds, and tetraboronic acid compounds TAMKANG UNIVERSITY (TW) 2020-06-23 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-10689404-B1 Preparation method of tetraboronic acid compounds, and tetraboronic acid compounds TBCB, F7, ACAD9 MGLL 2128/4885LPL 3907/4885LIPG 3720/4885

“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.