SCHEMBL23447249

SCHEMBL23447249

CCOC(=O)COc1nc(-c2cccc(F)c2)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 6/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 4/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 1/20 0.45
CSNK1D P48730 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KLK7 P49862 1/20 0.41
MAOB P27338 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PRNP P04156 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SQOR Q9Y6N5 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
MAPT P10636 2/20 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
SCHEMBL23447240 0.90 MALT1 (0.48) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL24407439 0.90 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL24747457 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL24407599 0.88 XPO1 (0.42) ALDH1A1KDM4EHSD17B10SMN1; SMN2KLK7
SCHEMBL25972455 0.87 MALT1 (0.45) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL24407442 0.87 MALT1 (0.47) MALT1
SCHEMBL24407472 0.86 MAPT (0.51) ALDH1A1KDM4ELMNAHTTTRPM8
SCHEMBL24407469 0.86 GAA (0.46) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL24407441 0.86 TSHR (0.51) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL24407504 0.85 CSNK1D (0.46) ALDH1A1KDM4EHSD17B10HPGDCSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382874-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-30 US disclosed
WO-2022096442-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO disclosed
WO-2021105101-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 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-20230382874-A1 [(5-PHENYL-1-HETEROARYL-1H-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS CYP4Z1, PDK3, HACL2 ALDH1A1 83/4885KDM4E 3720/4885HSD17B10 534/4885

“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.