Sugi Predict

Sugi Predict / Compounds / SCHEMBL163129

SCHEMBL163129

SCHEMBL163129

CCCC(=O)Oc1c(Br)cc(C#N)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TTR P02766 1/20 0.42
▸ ALB P02768 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LDHA P00338 1/20 0.37
▸ LDHB P07195 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ BCL9 O00512 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ THRB P10828 4/20 0.34
▸ THRA P10827 3/20 0.34
▸ GPR35 Q9HC97 2/20 0.34
▸ NCEH1 Q6PIU2 1/20 0.34

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
Bromoxynil SCHEMBL28163651 0.94 TTR (0.53) AKR1B1MEN1TTRALBKMT2A
SCHEMBL161072 0.88 AKR1B1 (0.43) AKR1B1MEN1TTRALBKMT2A
SCHEMBL9252568 0.88 AKR1B1 (0.43) AKR1B1MEN1TTRALBKMT2A
SCHEMBL3300282 0.88 AKR1B1 (0.43) AKR1B1MEN1TTRALBKMT2A
Bromoxynil SCHEMBL9864325 0.86 MEN1 (0.44) AKR1B1MEN1TTRALBKMT2A
Bromoxynil SCHEMBL3682602 0.84 MEN1 (0.47) AKR1B1MEN1TTRALBKMT2A
Heptanoate SCHEMBL13736224 0.84 THRA (0.47) AKR1B1MEN1KMT2AALOX15ALDH1A1
Simazine SCHEMBL9876438 0.82 LMNA (0.40) AKR1B1MEN1KMT2AALDH1A1
SCHEMBL11213169 0.81 TTR (0.46) AKR1B1TTRALBKMT2ALDHA
Bromoxynil SCHEMBL3092904 0.80 THRA (0.44) AKR1B1MEN1TTRALBKMT2A

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 863 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 — — EP claimed
EP-4337017-A1 HERBICIDE/SAFENER COMBINATION BASED ON SAFENERS FROM THE CLASS OF SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACIDS AND THEIR SALTS Bayer Aktiengesellschaft (DE) 2024-03-20 — — EP claimed
US-20230000079-A1 COMBINATION COMPRISING A TRIKETONE HERBICIDE AND A DIPHENYLETHER HERBICIDE, AND A METHOD FOR MAKING AND USING THE COMBINATION Generic Crop Science LLC (US) 2023-01-05 — — US claimed
WO-2022152728-A1 HERBICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2022-07-21 — — WO claimed
CN-110461158-B Herbicidal mixtures comprising 2- [ (2, 4-dichlorophenyl) methyl ] -4, 4-dimethyl-3-isoxazolidone, topramezone and mefenpyr 拜耳公司 2021-12-10 — — CN claimed
US-20210378241-A1 COMBINATION COMPRISING A BENZAMIDE HERBICIDE AND A PYRIDINE CARBOXYLIC ACID HERBICIDE, AND A METHOD FOR MAKING AND USING THE COMBINATION Generic Crop Science LLC (US) 2021-12-09 — — US claimed
CN-110087467-B Herbicidal combination 拜耳作物科学股份公司 2021-08-13 — — CN claimed
EP-3174865-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-12-09 — — EP claimed
CN-111787799-A Method for reducing crop damage 拜耳公司 2020-10-16 — — CN claimed
CN-111770684-A Method for reducing crop damage 拜耳公司 2020-10-13 — — CN claimed
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-03 — — US claimed
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 — — US claimed
WO-2009053052-A2 HERBICIDAL COMBINATION BAYER CROPSCIENCE AG (DE) 2009-04-30 — — WO claimed
US-20050238693-A1 Process for the preparation and activation of susbstances and a means of producing same CHEMSTOP PTY LTD. (AU) 2005-10-27 — — US claimed
EP-0522906-B1 Herbicidal wettable powders and methods of preparation FRANCAIS PROD IND CFPI (FR) 1998-08-19 — — EP claimed
US-5374607-A Filler particles constitute support or carrier for active substance C F P I (FR) 1994-12-20 — — US claimed
EP-0306376-B1 STABLE AQUEOUS OR ACOHOLIC DISPERSION ON THE BASIS OF OXYMIL, AND HERBICIDAL COMPOSITION AND PROCESS PRODUITS IND CIE FSE (FR) 1992-12-30 — — EP claimed
EP-0031684-B1 SOLUTIONS OF BROMOXYNIL AND IOXYNIL ESTERS UNION CARBIDE CORPORATION (US) 1983-04-13 — — EP claimed
US-4332613-A HERBICIDES, STABLE MIXTURES UNION CARBIDE CORPORATION (US) 1982-06-01 — — US claimed
EP-0031684-A2 Solutions of bromoxynil and ioxynil esters UNION CARBIDE CORPORATION (US) 1981-07-08 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20230000079-A1 COMBINATION COMPRISING A TRIKETONE HERBICIDE AND A DIPHENYLETHER HERBICIDE, AND A METHOD FOR MAKING AND USING THE COMBINATION DDT, TDO2, DNTT AKR1B1 984/4885MEN1 4740/4885TTR 543/4885
US-20210378241-A1 COMBINATION COMPRISING A BENZAMIDE HERBICIDE AND A PYRIDINE CARBOXYLIC ACID HERBICIDE, AND A METHOD FOR MAKING AND USING THE COMBINATION DDT, GAP43, PDHA2 AKR1B1 1799/4885MEN1 4629/4885TTR 529/4885
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, AGPS, DDT AKR1B1 1032/4885MEN1 2951/4885TTR 2418/4885
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto ACHE, DDT, PTMS AKR1B1 1184/4885MEN1 2610/4885TTR 2504/4885

“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.