SCHEMBL21055836

SCHEMBL21055836

CC1(C)OB(c2ccc(CC(N)=O)c(F)c2)OC1(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.62
F11 P03951 3/20 0.43
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
LIPG Q9Y5X9 6/20 0.42
LPL P06858 5/20 0.42
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 6/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HIF1A Q16665 2/20 0.37

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
SCHEMBL14898157 0.87 ROCK1 (0.63) ROCK1F11F2PRSS1PRSS2
SCHEMBL29897686 0.87 ROCK1 (0.48) ROCK1F11F2PRSS1PRSS2
SCHEMBL14710834 0.84 ROCK1 (0.60) ROCK1F11F2PRSS1PRSS2
SCHEMBL2950821 0.83 ROCK1 (0.45) ROCK1F11F2PRSS1PRSS2
SCHEMBL29279137 0.83 ROCK1 (0.53) ROCK1F11F2PRSS1PRSS2
SCHEMBL18643675 0.82 ROCK1 (0.56) ROCK1F11LIPGLPLCA1
SCHEMBL12068442 0.82 ROCK1 (0.57) ROCK1F11F2PRSS1PRSS2
SCHEMBL29825714 0.82 ROCK1 (0.57) ROCK1F11F2PRSS1PRSS2
SCHEMBL30124534 0.81 ROCK1 (0.43) ROCK1F11F2PRSS1PRSS2
SCHEMBL3321140 0.81 ROCK1 (0.55) ROCK1F11F2PRSS1PRSS2

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-10322130-B2 Substituted chromenones as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-06-18 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-10322130-B2 Substituted chromenones as modulators of protein kinases MAP3K1, CSNK1A1, MAP3K2 ROCK1 76/4885F11 1316/4885F2 2293/4885

“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.