SCHEMBL21179835

SCHEMBL21179835

CCC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
LIPG Q9Y5X9 6/20 0.38
LPL P06858 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK1 Q13464 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 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
SCHEMBL21179831 0.87 PRMT5 (0.41) HIF1APRMT5WDR77CA1CA2
SCHEMBL18497263 0.86 ROCK1 (0.44) HIF1APRMT5WDR77CA1CA2
SCHEMBL21179836 0.86 HIF1A (0.40) HIF1APRMT5WDR77CA1CA2
SCHEMBL18989327 0.85 PRMT5 (0.47) HIF1ASMN1; SMN2PRMT5WDR77CA1
SCHEMBL21179832 0.84 POLB (0.39) HIF1APRMT5WDR77CA1CA2
SCHEMBL21236362 0.82 LIPG (0.50) HIF1ACA1CA2CA9LIPG
SCHEMBL16881568 0.80 CA1 (0.57) HIF1ACA1CA2CA9LIPG
SCHEMBL16794462 0.77 NPC1 (0.43) HIF1APRMT5WDR77CA1CA2
SCHEMBL13568196 0.76 HIF1A (0.43) HIF1APRMT5WDR77CA1CA2
SCHEMBL12502664 0.76 HIF1A (0.48) HIF1APRMT5WDR77CA1CA2

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 HIF1A 2130/4885SMN1; SMN2 2558/4885PRMT5 2797/4885

“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.