SCHEMBL21179837

SCHEMBL21179837

CC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ROCK1 Q13464 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HIF1A Q16665 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LIPG Q9Y5X9 2/20 0.37
SETDB1 Q15047 1/20 0.36
LPL P06858 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 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
SCHEMBL20528016 0.90 HIF1A (0.40) AAK1CA1CA2CA9PRMT5
SCHEMBL16321506 0.88 TSHR (0.46) AAK1CA1CA2CA9PRMT5
SCHEMBL21179836 0.87 HIF1A (0.40) AAK1CA1CA2CA9PRMT5
SCHEMBL21179831 0.85 PRMT5 (0.41) CA1CA2CA9PRMT5WDR77
SCHEMBL21179838 0.84 ROCK1 (0.46) CA1CA2CA9PRMT5WDR77
SCHEMBL21179840 0.84 EPHX2 (0.44)
SCHEMBL3413800 0.83 PRMT5 (0.57) AAK1CA1CA2CA9PRMT5
SCHEMBL20365272 0.82 ROCK1 (0.54) CA1CA2CA9PRMT5WDR77
SCHEMBL22660021 0.79 AAK1 (0.42) AAK1CA1CA2CA9PRMT5
SCHEMBL16831556 0.79 LIPG (0.42) AAK1CA1CA2CA9ROCK1

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 AAK1 1189/4885CA1 546/4885CA2 615/4885

“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.