SCHEMBL22714339

SCHEMBL22714339

CC(=O)OCC1(C)CC(c2cc([N+](=O)[O-])c(F)cc2Cl)=NO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GPR174 Q9BXC1 3/20 0.33
▸ GUSB P08236 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ ESPL1 Q14674 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL29438153 1.00 MAPT (0.36) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21635540 0.86 ESPL1 (0.37) MAPTALDH1A1MEN1KMT2AAKR1B1
SCHEMBL28363043 0.84 MAPT (0.37) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22714398 0.84 CA1 (0.33) ALDH1A1SMN1; SMN2CA1CA2RAB9A
SCHEMBL22714353 0.83 CA1 (0.41) MAPTALDH1A1AKR1B1CA12CA9
SCHEMBL29438166 0.83 CA1 (0.41) MAPTALDH1A1AKR1B1CA12CA9
SCHEMBL25166774 0.83 AKR1B1 (0.36) MAPTGUSBAKR1B1HSP90AA1ESPL1
SCHEMBL21635547 0.82 MAPT (0.38) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29438157 0.82 MAPT (0.38) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22714396 0.80 CA1 (0.30) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202821-B2 Herbicidal compounds SYNGENTA CROP PROTECTION AG (CH) 2025-01-21 — — US disclosed
CN-118084888-A Herbicidal compounds 先正达农作物保护股份公司 2024-05-28 — — CN disclosed
CN-113874368-B Herbicidal compounds 先正达农作物保护股份公司 2024-03-08 — — CN disclosed
EP-3976603-B1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-11-15 — — EP disclosed
EP-3976603-B1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-11-15 — — EP disclosed
US-20220227744-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-07-21 — — US disclosed
EP-3976603-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2022-04-06 — — EP disclosed
CN-113874368-A Herbicidal compounds 先正达农作物保护股份公司 2021-12-31 — — CN disclosed
WO-2020239607-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-12-03 — — WO disclosed
WO-2020239607-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-12-03 — — 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 (2 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-20220227744-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 MAPT 4021/4885ALDH1A1 32/4885SMN1; SMN2 2706/4885
US-12202821-B2 Herbicidal compounds DDT, ACHE, GSTO1 MAPT 4021/4885ALDH1A1 32/4885SMN1; SMN2 2706/4885

“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.

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