SCHEMBL24407448

SCHEMBL24407448

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.41
GRM5 P41594 1/20 0.40
AOC3 Q16853 2/20 0.40
P2RX7 Q99572 4/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
KCNN4 O15554 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CASP3 P42574 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
GPBAR1 Q8TDU6 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
SCHEMBL24407605 0.96 NPC1 (0.39) ALPLGRM5AOC3P2RX7CYP3A4
SCHEMBL24407446 0.91 KCNN4 (0.38) MAPTKDM4EHTTKCNN4MMP1
SCHEMBL24407512 0.91 CASP3 (0.38) ALPLGRM5AOC3P2RX7CYP3A4
SCHEMBL24407438 0.90 NPC1 (0.43) GRM5AOC3P2RX7MAPTNPC1
SCHEMBL24407440 0.89 KDM4E (0.40) P2RX7CYP3A4MAPTKDM4EALDH1A1
SCHEMBL24407595 0.89 AOC3 (0.39) AOC3KDM4EMMP1MMP9MMP8
SCHEMBL24750703 0.88 ALPL (0.41) ALPLGRM5P2RX7CYP3A4MAPT
SCHEMBL24407511 0.88 LPAR2 (0.41) ALPLGRM5AOC3P2RX7CYP3A4
SCHEMBL25972999 0.88 GRM5 (0.39) ALPLGRM5AOC3P2RX7CYP3A4
SCHEMBL24407552 0.88 MALT1 (0.39) ALPLGRM5AOC3MAPTNPC1

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-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

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 ALPL 501/4885GRM5 2369/4885AOC3 305/4885

“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.