SCHEMBL21179832

SCHEMBL21179832

Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CNC(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ROCK1 Q13464 1/20 0.38
HPGD P15428 2/20 0.38
HIF1A Q16665 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
EPHX2 P34913 3/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NQO2 P16083 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
SCHEMBL21179840 0.87 EPHX2 (0.44) KMT2AALDH1A1EPHX2
SCHEMBL21179839 0.87 ROCK1 (0.44) POLBKMT2AROCK1HPGDKDM4E
SCHEMBL21179835 0.84 HIF1A (0.42) PRMT5WDR77ROCK1HIF1ACA1
SCHEMBL21179831 0.84 PRMT5 (0.41) PRMT5WDR77ROCK1HIF1ACA1
SCHEMBL18989327 0.81 PRMT5 (0.47) PRMT5WDR77ROCK1HIF1ACA1
SCHEMBL3212986 0.81 CA1 (0.54) KMT2AHPGDKDM4EALDH1A1ALOX15
SCHEMBL553260 0.80 LIPG (0.48) POLBKMT2AHPGDKDM4EALDH1A1
SCHEMBL15739827 0.77 NPC1 (0.45) KMT2AHPGDHIF1AKDM4EALDH1A1
SCHEMBL21236362 0.76 LIPG (0.50) ROCK1HIF1ACA1CA2CA9
SCHEMBL552268 0.75 ALDH1A1 (0.51) KMT2AHPGDALDH1A1NPC1RAB9A

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 POLB 4804/4885KMT2A 1510/4885PRMT5 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.