SCHEMBL15280673

SCHEMBL15280673

[2H]C([2H])([2H])Oc1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.40
LIPG Q9Y5X9 7/20 0.40
ALPL P05186 1/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
EGFR P00533 1/20 0.31
LIPE Q05469 1/20 0.31
P4HB P07237 1/20 0.30

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
SCHEMBL2774133 0.87 CA1 (0.44) LPLLIPGALPLCA1CA2
SCHEMBL30237979 0.87 CA1 (0.44) LPLLIPGALPLCA1CA2
SCHEMBL31648196 0.85 JAK2 (0.36) LPLLIPGEGFR
SCHEMBL22131084 0.82 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL16760950 0.77 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL5899734 0.77 LPL (0.54) LPLLIPGCA1CA2CA9
SCHEMBL23680880 0.76 ALDH1A1 (0.43) LPLLIPG
SCHEMBL18174184 0.76 LPL (0.40) LPLLIPG
SCHEMBL13043663 0.76 LPL (0.40) LPLLIPGLIPE
SCHEMBL18850563 0.75 LPL (0.39) LPLLIPGCA1CA2CA9

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-20130253194-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2013-09-26 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-20130253194-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 LPL 3039/4885LIPG 1854/4885ALPL 4735/4885

“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.