SCHEMBL22217016

SCHEMBL22217016

CC1(C)c2ccccc2Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 14/20 0.46
▸ LPL P06858 13/20 0.46
▸ PDK2 Q15119 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ P4HB P07237 1/20 0.35
▸ ROCK1 Q13464 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 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
SCHEMBL31116974 0.80 PGR (0.47) LIPGLPLPDK2PDK4
SCHEMBL29674722 0.78 LPL (0.49) LIPGLPLPRMT5WDR77BACE1
SCHEMBL29450660 0.78 LPL (0.49) LIPGLPLPRMT5WDR77BACE1
SCHEMBL70348 0.78 LPL (0.49) LIPGLPLPRMT5WDR77BACE1
SCHEMBL17065892 0.77 LIPG (0.47) LIPGLPLPRMT5WDR77P4HB
SCHEMBL24275677 0.76 LPL (0.46) LIPGLPLBACE1P4HBROCK1
SCHEMBL17072886 0.76 GAA (0.48) LIPGLPLPRMT5WDR77P4HB
SCHEMBL18333498 0.76 ALOX5 (0.52) LIPGLPLPRMT5WDR77
SCHEMBL15982219 0.76 LPL (0.46) LIPGLPLBACE1P4HBROCK1
SCHEMBL69358 0.75 LIPG (0.47) LIPGLPLP4HBCA1CA2

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-20200223857-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC RING COMPOUND AND APPLICATION THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2020-07-16 — — 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-20200223857-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC RING COMPOUND AND APPLICATION THEREOF NNT, NPPA, NQO1 LIPG 4739/4885LPL 4850/4885PDK2 2300/4885

“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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