SCHEMBL5592875

SCHEMBL5592875

CCOC(=O)COc1ncccc1Oc1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
S1PR4 O95977 1/20 0.40
LMNA P02545 1/20 0.40
ITGA4 P13612 1/20 0.40
HPGD P15428 1/20 0.40
S1PR1 P21453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.39
PPOX P50336 1/20 0.39
GFER P55789 1/20 0.39
PIN1 Q13526 1/20 0.39
MAPK8 P45983 1/20 0.38

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
SCHEMBL21034914 0.90 MEN1 (0.43) MAPTALDH1A1NPC1MAPK1RAB9A
SCHEMBL21902914 0.87 PPOX (0.42) ALDH1A1NPC1LMNAHPGDNPSR1
SCHEMBL30704856 0.85 PPOX (0.41) ALDH1A1NPC1LMNAHPGDNPSR1
SCHEMBL30704857 0.85 PPOX (0.41) ALDH1A1NPC1LMNAHPGDNPSR1
SCHEMBL5592842 0.85 PPOX (0.41) ALDH1A1NPC1LMNAHPGDNPSR1
SCHEMBL5592815 0.85 ALDH1A1 (0.46) MAPTALDH1A1NPC1MAPK1RAB9A
SCHEMBL22488064 0.85 PPOX (0.41) ALDH1A1NPC1LMNAHPGDNPSR1
SCHEMBL5593305 0.84 KMT2A (0.55) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL18342871 0.83 MAPT (0.52) MAPTALDH1A1NPC1MAPK1RAB9A
SCHEMBL31118300 0.83 PPOX (0.39) MAPTALDH1A1NPC1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12133529-B2 Herbicidal phenylethers BASF SE (DE) 2024-11-05 US disclosed
WO-2023247976-A1 DEUTERATED HERBICIDES BASED ON OXAZINONES AND 6-(TRIFLUOROMETHYL)PYRIMIDINE-2,4-DIONES REDAG CROP PROTECTION LTD (GB) 2023-12-28 WO disclosed
US-20230345941-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2023-11-02 US disclosed
US-20230345941-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2023-11-02 US disclosed
US-20200305429-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2020-10-01 US disclosed
CN-111356693-A Herbicidal phenyl ethers 巴斯夫欧洲公司 2020-06-30 CN disclosed
WO-2019101551-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2019-05-31 WO disclosed
WO-2007083090-A2 PROCESS FOR THE PREPARATION OF URACIL DERIVATIVES SYNGENTA LIMITED (GB) 2007-07-26 WO disclosed
WO-2007083090-A2 PROCESS FOR THE PREPARATION OF URACIL DERIVATIVES SYNGENTA LIMITED (GB) 2007-07-26 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 (3 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-20200305429-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 MAPT 2116/4885ALDH1A1 35/4885NPC1 4065/4885
US-12133529-B2 Herbicidal phenylethers DDT, HPD, GSTM2 MAPT 2116/4885ALDH1A1 35/4885NPC1 4065/4885
US-20230345941-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 MAPT 2116/4885ALDH1A1 35/4885NPC1 4065/4885

“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.