SCHEMBL23447271

SCHEMBL23447271

CCCCOC(=O)COc1nc(-c2ccc(F)cc2F)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AOC3 Q16853 2/20 0.38
CNR1 P21554 2/20 0.38
LMNA P02545 1/20 0.38
CNR2 P34972 1/20 0.38
FAAH O00519 3/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PDE2A O00408 1/20 0.36
HTR2A P28223 2/20 0.36
SLC34A1 Q06495 1/20 0.35
GCGR P47871 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TBXAS1 P24557 1/20 0.35

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
SCHEMBL24407543 0.97 CNR1 (0.39) ALDH1A1TDP1L3MBTL1AOC3CNR1
SCHEMBL24407588 0.94 LMNA (0.39) TDP1L3MBTL1AOC3CNR1LMNA
SCHEMBL24407438 0.91 NPC1 (0.43) ALDH1A1AOC3LMNANPC1MAPT
SCHEMBL24747973 0.90 ALDH1A1 (0.39) ALDH1A1TDP1L3MBTL1CNR1LMNA
SCHEMBL24407478 0.89 LMNA (0.39) ALDH1A1TDP1AOC3LMNAFAAH
SCHEMBL24407552 0.89 MALT1 (0.39) ALDH1A1AOC3NPC1MAPTRAB9A
SCHEMBL24750707 0.87 CNR1 (0.37) ALDH1A1TDP1L3MBTL1CNR1LMNA
SCHEMBL24407512 0.87 CASP3 (0.38) TDP1L3MBTL1AOC3LMNANPC1
SCHEMBL24407605 0.85 NPC1 (0.39) TDP1L3MBTL1AOC3LMNANPC1
SCHEMBL24407448 0.85 ALPL (0.41) ALDH1A1AOC3NPC1MAPTRAB9A

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 83/4885TDP1 957/4885L3MBTL1 1164/4885

“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.