SCHEMBL26547640

SCHEMBL26547640

CC(C)(C)OC(=O)N1CCCC1CCCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 2/20 0.43
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE8B O95263 1/20 0.39
OPRD1 P41143 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
NPC1 O15118 1/20 0.38
CHEK2 O96017 1/20 0.38
POLB P06746 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 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
SCHEMBL3441499 0.92 ATM (0.45) HSD17B10SMN1; SMN2ATMALDH1A1L3MBTL1
SCHEMBL22570262 0.90 HSD17B10 (0.48) HSD17B10SMN1; SMN2ATMALDH1A1L3MBTL1
SCHEMBL5191626 0.90 HSD17B10 (0.48) HSD17B10SMN1; SMN2ATMALDH1A1L3MBTL1
SCHEMBL31072006 0.88 ATM (0.42) HSD17B10SMN1; SMN2ATMALDH1A1L3MBTL1
SCHEMBL29039235 0.87 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2ATMALDH1A1L3MBTL1
SCHEMBL29039237 0.87 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2ATMALDH1A1L3MBTL1
SCHEMBL25218855 0.86 ATM (0.47) HSD17B10SMN1; SMN2ATMALDH1A1PDE8B
SCHEMBL25220677 0.86 ATM (0.47) HSD17B10SMN1; SMN2ATMALDH1A1PDE8B
SCHEMBL3146378 0.86 ATM (0.47) HSD17B10SMN1; SMN2ATMALDH1A1PDE8B
SCHEMBL6338610 0.85 ATM (0.43) HSD17B10SMN1; SMN2ATMALDH1A1L3MBTL1

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-20230331685-A1 HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF AG PLENUS LTD (IL) 2023-10-19 US disclosed
US-20230331685-A1 HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF AG PLENUS LTD (IL) 2023-10-19 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-20230331685-A1 HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF DDT, HDHD5, HPD HSD17B10 173/4885SMN1; SMN2 4533/4885ATM 4540/4885

“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.