SCHEMBL23447647

SCHEMBL23447647

COC(=O)COc1nc(-c2ccc(C)cc2)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.40
ALOX5 P09917 1/20 0.40
VEGFA P15692 1/20 0.40
FLT1 P17948 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40

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
SCHEMBL24407475 0.90 MAPK1 (0.47) GAASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL24407583 0.90 ALDH1A1 (0.45) KDM4EPOLBSMN1; SMN2MAPK1MALT1
SCHEMBL24407473 0.90 MALT1 (0.45) KDM4EPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL24407445 0.89 MMP1 (0.46) KDM4EPOLBGAASMN1; SMN2MEN1
SCHEMBL24406718 0.88 LMNA (0.43) KDM4EPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL24407514 0.88 ALDH1A1 (0.45) KDM4EGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL24748285 0.86 KDM4E (0.45) KDM4EPOLBGAASMN1; SMN2MEN1
SCHEMBL24407515 0.86 KDM4E (0.43) KDM4EGAAMEN1KMT2AMALT1
SCHEMBL24407590 0.86 KDM4E (0.48) KDM4EPOLBGAASMN1; SMN2KMT2A
SCHEMBL25972935 0.84 MALT1 (0.38) POLBGAAMEN1KMT2AMALT1

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 KDM4E 3720/4885POLB 4067/4885GAA 179/4885

“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.