SCHEMBL4789498

SCHEMBL4789498

CC(C)CCCCCOC(=O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
ALDH1A1 P00352 2/20 0.71
MAPT P10636 5/20 0.63
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.52
LMNA P02545 1/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.50
NLRP1 Q9C000 1/20 0.50

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
SCHEMBL29497484 1.00 TDP1 (0.71) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL27374545 0.90 TDP1 (0.82) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL27374553 0.90 TDP1 (0.82) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL4889752 0.89 ALDH1A1 (0.56) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL8759541 0.89 MAPT (0.56) TDP1L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL11797471 0.89 MAPT (0.63) TDP1L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29435269 0.89 MAPT (0.63) TDP1L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL27374551 0.88 TDP1 (0.84) TDP1L3MBTL1ALDH1A1MAPTMAPK1
2,4-Dichlorophenoxyacetic Acid SCHEMBL9472795 0.88 TDP1 (0.56) TDP1L3MBTL1ALDH1A1MAPTMAPK1
2,4-Dichlorophenoxyacetic Acid SCHEMBL22587636 0.86 TDP1 (0.60) TDP1L3MBTL1ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327359-A1 3-ISOXAZOLIDINONE COMPOUND, PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-10-03 US claimed
CN-118179061-A System and method for continuously synthesizing 2, 4-dichlorophenoxyacetic acid isooctyl ester 山东潍坊润丰化工股份有限公司 2024-06-14 CN claimed
CN-115581235-B Weeding composition and application thereof 允发化工(上海)有限公司 2024-05-03 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
CN-115581235-A Weeding composition and application thereof 允发化工(上海)有限公司 2023-01-10 CN claimed
CN-114773190-A Method for preparing 2, 4-dichlorophenoxyacetic acid isooctyl ester 江西天宇化工有限公司 2022-07-22 CN claimed
CN-110087467-B Herbicidal combination 拜耳作物科学股份公司 2021-08-13 CN 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-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
CN-111757672-A Method for reducing crop damage 拜耳公司 2020-10-09 CN claimed
CN-111741679-A Method for reducing crop damage 拜耳公司 2020-10-02 CN claimed
EP-0485207-B1 Stabilized oil-in-water emulsions RHONE POULENC AGROCHIMIE (FR) 1997-05-28 EP claimed
CN-118318839-A Use of substituted phenylamide isoxazoline compound for controlling thysanoptera pests 海利尔药业集团股份有限公司 2024-07-12 CN disclosed
WO-2024146512-A1 TRI-SUBSTITUTED PHENYL CYCLOHEXENE THIOETHER COMPOUND AND USE THEREOF 沈阳万菱生物技术有限公司 2024-07-11 WO disclosed
EP-0050228-A1 Use of alkoxylated compounds as nonionic components in pesticidal formulations BASF Aktiengesellschaft (DE) 1982-04-28 EP disclosed
US-3976468-A Herbicide mixture of lower alkyl esters of N-benzoyl-N-chlorophenyl-2-amino-lower alkanoic acids and 3-lower alkyl-2,1,3-benzothiadiazinone-(4)-2,2-dioxides or salts thereof BASF AKTIENGESELLSCHAFT (DT) 1976-08-24 US disclosed
US-3935000-A Herbicidal mixture of a pyrozolium salt and benzothiadiozinone derivative BASF AKTIENGESELLSCHAFT (DT) 1976-01-27 US 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 (1 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-20240327359-A1 3-ISOXAZOLIDINONE COMPOUND, PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF CYP4X1, GLRX3, CYP4Z1 TDP1 2130/4885L3MBTL1 2590/4885ALDH1A1 829/4885

“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.