SCHEMBL4889752

SCHEMBL4889752

Cc1cc(Cl)ccc1OCC(=O)OCCCCCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ESR1 P03372 1/20 0.55
POLB P06746 1/20 0.55
ESR2 Q92731 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HIF1A Q16665 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.51
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL21381337 0.89 MEN1 (0.64) ALDH1A1TDP1ESR1POLBESR2
SCHEMBL29497484 0.89 TDP1 (0.71) ALDH1A1TDP1L3MBTL1MAPTMAPK1
SCHEMBL4789498 0.89 TDP1 (0.71) ALDH1A1TDP1L3MBTL1MAPTMAPK1
SCHEMBL4884515 0.84 ALDH1A1 (0.78) ALDH1A1TDP1L3MBTL1ESR1POLB
SCHEMBL29435277 0.82 TDP1 (0.62) ALDH1A1TDP1L3MBTL1ESR1POLB
SCHEMBL4883831 0.82 TDP1 (0.62) ALDH1A1TDP1L3MBTL1ESR1POLB
SCHEMBL31388389 0.82 TSHR (0.58) ALDH1A1TDP1ESR1POLBESR2
SCHEMBL10814575 0.82 TSHR (0.58) ALDH1A1TDP1ESR1POLBESR2
Metaxon SCHEMBL29104711 0.81 PPARD (0.52) ALDH1A1TDP1ESR1POLBESR2
SCHEMBL11800433 0.80 TDP1 (0.67) ALDH1A1TDP1L3MBTL1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026088192-A1 METHOD FOR CONTROLLING WEED IN CEREAL CROPS ADAMA AGAN LTD. (IL) 2026-04-30 WO claimed
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
CN-115707690-B 3-isoxazolidinone compound, preparation method thereof, weeding composition and application 青岛清原化合物有限公司 2024-04-05 CN 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
CN-113461529-B Preparation method of 2-methyl-4-chlorophenoxyacetic acid isooctyl ester 利尔化学股份有限公司 2023-10-31 CN claimed
CN-116715579-A Continuous preparation method of isooctyl 2-methyl-4-chlorophenoxyacetate 江苏永泰丰作物科学有限公司 2023-09-08 CN claimed
EP-3378314-B1 SYNERGISTIC HERBICIDAL COMPOSITION QINGDAO KINGAGROOT RESISTANT WEED MAN CO LTD (CN) 2023-07-05 EP claimed
WO-2023020274-A1 3-ISOXAZOLIDINONE COMPOUND AND REPARATION METHOD THEREFOR, AND HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2023-02-23 WO claimed
CN-115707690-A 3-isoxazolidinone compound, preparation method thereof, weeding composition and application 青岛清原化合物有限公司 2023-02-21 CN 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-113461529-A Preparation method of 2-methyl-4-chlorophenoxyacetic acid isooctyl ester 利尔化学股份有限公司 2021-10-01 CN claimed
WO-2021082345-A1 HERBICIDAL COMPOSITION COMPRISING N-(1,3,4-OXADIAZOLE-2-YL) ARYL FORMAMIDE COMPOUNDS AND APPLICATION OF HERBICIDAL COMPOSITION 江苏清原农冠杂草防治有限公司 2021-05-06 WO claimed
WO-2021083245-A1 HERBICIDAL COMPOSITION COMPRISING N-(1,3,4-OXADIAZOLE-2-YL)ARYLFORMAMIDE COMPOUND AND USE THEREOF 江苏清原农冠杂草防治有限公司 2021-05-06 WO claimed
CN-112741097-A Herbicidal compositions comprising N- (1,3, 4-oxadiazol-2-yl) arylcarboxamides and their use 江苏清原农冠杂草防治有限公司 2021-05-04 CN claimed
CN-111903705-A Compound herbicide and application thereof 浙江瑞丰生物科技有限公司 2020-11-10 CN claimed
WO-2020215604-A1 HERBICIDAL COMPOSITION COMPRISING TRIFLUOROMETHYL PYRIDAZINOL COMPOUND AND APPLICATION THEREOF 江苏清原农冠杂草防治有限公司 2020-10-29 WO claimed
US-20080242544-A1 Phytoactive Composition MICAP PLC (GB) 2008-10-02 US claimed
EP-1750504-A1 PHYTOACTIVE COMPOSITION MICAP PLC. (GB) 2007-02-14 EP claimed
WO-2005102045-A1 PHYTOACTIVE COMPOSITION MICAP PLC (GB) 2005-11-03 WO 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 (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-20230000079-A1 COMBINATION COMPRISING A TRIKETONE HERBICIDE AND A DIPHENYLETHER HERBICIDE, AND A METHOD FOR MAKING AND USING THE COMBINATION DDT, TDO2, DNTT ALDH1A1 960/4885TDP1 289/4885L3MBTL1 2078/4885
US-20080242544-A1 Phytoactive Composition PNMT, ACHE, TACR1 ALDH1A1 1553/4885TDP1 2681/4885L3MBTL1 4828/4885

“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.