SCHEMBL20935120

SCHEMBL20935120

CC(C)COC(=O)Nc1cccc(CO)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAOB P27338 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 4/20 0.42
HTT P42858 3/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
MAP3K5 Q99683 1/20 0.39
CCNK O75909 1/20 0.39
DDB1 Q16531 1/20 0.39
CDK12 Q9NYV4 1/20 0.39

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
SCHEMBL20935227 0.84 ALDH1A1 (0.49) SMN1; SMN2KDM4EALDH1A1LMNAMAPK1
SCHEMBL20935123 0.83 ALDH1A1 (0.51) SMN1; SMN2MAOBKDM4EALDH1A1ALOX15
SCHEMBL21742200 0.82 NR3C2 (0.46) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL20935125 0.82 CHRNB2 (0.50) SMN1; SMN2ALDH1A1LMNAMAPK1HSD17B10
SCHEMBL30395909 0.80 RAB9A (0.50) SMN1; SMN2KDM4EALDH1A1LMNATSHR
SCHEMBL14879934 0.80 RAB9A (0.50) SMN1; SMN2KDM4EALDH1A1LMNATSHR
SCHEMBL20935124 0.78 SMN1; SMN2 (0.77) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL23619520 0.78 XIAP (0.49) SMN1; SMN2KDM4EALDH1A1LMNATSHR
SCHEMBL20935228 0.78 CHRNB2 (0.49) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL465792 0.77 CCR2 (0.42) SMN1; SMN2MEN1KMT2AGRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206744-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2021-07-08 US disclosed
WO-2019077344-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2019-04-25 WO 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-20210206744-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS BRI3BP, CYP3A4, CYP3A5 SMN1; SMN2 4506/4885MAOB 679/4885KDM4E 497/4885

“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.