SCHEMBL3300282

SCHEMBL3300282

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.43
THRA P10827 3/20 0.42
THRB P10828 3/20 0.42
MGLL Q99685 2/20 0.41
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
ALOX15 P16050 1/20 0.39
DGKA P23743 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL9252568 1.00 AKR1B1 (0.43) AKR1B1THRATHRBMGLLLDHA
SCHEMBL161072 1.00 AKR1B1 (0.43) AKR1B1THRATHRBMGLLLDHA
Bromoxynil SCHEMBL3682602 0.95 MEN1 (0.47) AKR1B1THRATHRBMGLLLDHA
Heptanoate SCHEMBL13736224 0.95 THRA (0.47) AKR1B1THRATHRBALOX15KMT2A
Bromoxynil SCHEMBL3092904 0.91 THRA (0.44) AKR1B1THRATHRBLDHALDHB
SCHEMBL163129 0.88 AKR1B1 (0.42) AKR1B1THRATHRBMGLLLDHA
Acetic Acid Phenyl Ester SCHEMBL28102675 0.88 ESR1 (0.41) MGLLKMT2ASMN1; SMN2MEN1
Ioxynil Octanoate SCHEMBL164304 0.83 AKR1B1 (0.43) AKR1B1MGLLLDHALDHBALOX15
Bromoxynil SCHEMBL28163651 0.83 TTR (0.53) AKR1B1THRATHRBMGLLLDHA
Molinate SCHEMBL8916239 0.83 AKR1B1 (0.36) AKR1B1THRATHRBMGLLLDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4723888-A2 MIXTURE OF AGRICULTURALLY ACTIVE COMPOUNDS AND SPRAY ADJUVANTS Speedagro Inc. (US) 2026-04-15 EP claimed
WO-2024254580-A2 MIXTURE OF AGRICULTURALLY ACTIVE COMPOUNDS AND SPRAY ADJUVANTS SPEEDAGRO INC. (US) 2024-12-12 WO 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
WO-2022152728-A1 HERBICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2022-07-21 WO claimed
US-6255252-B1 BROMOXYNIL (N-OCTANOATE AND N-HEPTANOATE); HERBICIDES AVENTIS AGRICULTURE LIMITED (GB) 2001-07-03 US claimed
EP-4723888-A2 MIXTURE OF AGRICULTURALLY ACTIVE COMPOUNDS AND SPRAY ADJUVANTS Speedagro Inc. (US) 2026-04-15 EP disclosed
WO-2025223988-A1 EMULSIFIABLE CONCENTRATE (EC) FORMULATION BAYER AKTIENGESELLSCHAFT (DE) 2025-10-30 WO disclosed
US-12325646-B2 Fertigation water treatment UNIVERSITY OF GUELPH (CA) 2025-06-10 US disclosed
US-20250024837-A1 PESTICIDE SYSTEM BANISH, MICHELE 2025-01-23 US disclosed
WO-2024254580-A2 MIXTURE OF AGRICULTURALLY ACTIVE COMPOUNDS AND SPRAY ADJUVANTS SPEEDAGRO INC. (US) 2024-12-12 WO disclosed
US-12016335-B2 Stabilized low-concentration metsulfuron-methyl liquid composition FMC CORPORATION (US) 2024-06-25 US disclosed
EP-4378314-A2 HERBICIDAL COMPOSITIONS Bayer AG (DE) 2024-06-05 EP disclosed
US-20160374343-A1 STABILIZED LOW-CONCENTRATION METSULFURON-METHYL LIQUID COMPOSITION FMC CORPORATION 2016-12-29 US disclosed
EP-3073823-A1 STABILIZED LOW-CONCENTRATION METSULFURON-METHYL LIQUID COMPOSITION E. I. du Pont de Nemours and Company (US) 2016-10-05 EP disclosed
WO-2015077587-A1 STABILIZED LOW-CONCENTRATION METSULFURON-METHYL LIQUID COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-05-28 WO disclosed
US-20100093541-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-04-15 US disclosed
WO-2010017922-A2 HERBICIDAL COMBINATION COMPRISING DIMETHOXY-TRIAZINYL-SUBSTITUTED DIFLUOROMETHANE SULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-18 WO disclosed
US-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-12-07 US disclosed
US-6255252-B1 BROMOXYNIL (N-OCTANOATE AND N-HEPTANOATE); HERBICIDES AVENTIS AGRICULTURE LIMITED (GB) 2001-07-03 US disclosed
EP-0485207-B1 Stabilized oil-in-water emulsions RHONE POULENC AGROCHIMIE (FR) 1997-05-28 EP 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 (5 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-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients ENPP1, ENPP3, SMPD1 AKR1B1 1037/4885THRA 4712/4885THRB 4526/4885
US-20160374343-A1 STABILIZED LOW-CONCENTRATION METSULFURON-METHYL LIQUID COMPOSITION FABP4, FADS2, LIPC AKR1B1 2787/4885THRA 886/4885THRB 1216/4885
US-20250024837-A1 PESTICIDE SYSTEM ACHE, PFAS, FPGS AKR1B1 2795/4885THRA 4391/4885THRB 4104/4885
US-20100093541-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES DDT, CBR3, CBR1 AKR1B1 143/4885THRA 912/4885THRB 128/4885
US-12016335-B2 Stabilized low-concentration metsulfuron-methyl liquid composition FABP4, FADS2, LIPC AKR1B1 2787/4885THRA 886/4885THRB 1216/4885

“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.