SCHEMBL21179838

SCHEMBL21179838

CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.46
LIPG Q9Y5X9 3/20 0.40
LPL P06858 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
HIF1A Q16665 2/20 0.38
EGFR P00533 1/20 0.36
F2 P00734 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL20365272 0.90 ROCK1 (0.54) ROCK1LIPGLPLCA1CA2
SCHEMBL18497263 0.87 ROCK1 (0.44) ROCK1LIPGLPLCA1CA2
SCHEMBL21179831 0.85 PRMT5 (0.41) ROCK1LIPGLPLCA1CA2
SCHEMBL21179837 0.84 AAK1 (0.40) ROCK1LIPGLPLCA1CA2
SCHEMBL21179839 0.84 ROCK1 (0.44) ROCK1
SCHEMBL3490524 0.83 PRMT5 (0.57) ROCK1LIPGLPLCA1CA2
SCHEMBL14898149 0.80 ROCK1 (0.51) ROCK1LIPGLPLCA1CA2
SCHEMBL15866726 0.79 ROCK1 (0.48) ROCK1LIPGLPLCA1CA2
SCHEMBL1290116 0.79 ROCK1 (0.54) ROCK1LIPGLPLCA1CA2
SCHEMBL20583708 0.79 HPGD (0.54) ROCK1

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-10357036-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-23 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-10357036-B2 Compounds for controlling arthropods DDT, ACHE, NISCH ROCK1 2733/4885LIPG 3455/4885LPL 2074/4885

“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.