SCHEMBL12477325

SCHEMBL12477325

O=C(Oc1c(Cl)cc(Cl)cc1Cl)C(C(=O)Oc1c(Cl)cc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.47
▸ PPARG P37231 5/20 0.44
▸ ACP3 P15309 1/20 0.41
▸ PNMT P11086 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ STK39 Q9UEW8 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL28327522 0.94 PPARG (0.47) CES2PPARGACP3PNMTLMNA
SCHEMBL2687361 0.86 RORB (0.39) CES2PPARGSTK39
SCHEMBL28436668 0.83 MEN1 (0.40) ACP3MEN1KMT2A
SCHEMBL28341288 0.83 PPARG (0.54) CES2PPARGACP3PNMTLMNA
SCHEMBL28328822 0.82 CES2 (0.43) CES2PPARGMEN1CYP1A2CYP3A4
SCHEMBL15671624 0.82 P2RX1 (0.40) CNR1
SCHEMBL28732508 0.82 MAPK1 (0.35) PPARGMEN1KMT2A
SCHEMBL1273899 0.80 SRC (0.42) PPARGSTK39ALDH1A1MEN1KMT2A
SCHEMBL19892726 0.80 L3MBTL1 (0.40) ACP3LMNAHPGDMEN1KMT2A
SCHEMBL28444437 0.78 ACP3 (0.51) CES2PPARGACP3PNMTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574194-B Pyrimidine salt compound synthesis and application 东莞市东阳光农药研发有限公司 2023-10-20 — — CN disclosed
CN-112851665-B Novel mesoionic compounds and their use in agriculture 东莞市东阳光农药研发有限公司 2023-08-08 — — CN disclosed
CN-114369090-A Mesoionic compound and preparation method and application thereof 东莞市东阳光农药研发有限公司 2022-04-19 — — CN disclosed
CN-113968854-A Novel onium salt compound and synthesis and application thereof 东莞市东阳光农药研发有限公司 2022-01-25 — — CN disclosed
CN-113563327-A Novel mesoionic compound and synthesis and application thereof 东莞市东阳光农药研发有限公司 2021-10-29 — — CN disclosed
CN-112851665-A Novel mesoionic compounds and their use in agriculture 东莞市东阳光农药研发有限公司 2021-05-28 — — CN disclosed
CN-112574194-A Synthesis and application of pyrimidinium salt compound 东莞市东阳光农药研发有限公司 2021-03-30 — — CN disclosed
CN-110317200-B Pyrimidinium compounds and uses thereof 东莞市东阳光农药研发有限公司 2020-09-11 — — CN disclosed
CN-110452238-B Pyrimidinium compounds and uses thereof 东莞市东阳光农药研发有限公司 2020-08-11 — — CN disclosed
CN-107531700-B Mesoionic compounds 日本化药株式会社 2020-03-03 — — CN disclosed
EP-3287457-B1 MESOIONIC COMPOUND NIPPON KAYAKU KK (JP) 2019-09-18 — — EP disclosed
EP-3521287-A1 NOVEL MESOIONIC INSECTICIDAL COMPOUND Nippon Kayaku Kabushiki Kaisha (JP) 2019-08-07 — — EP disclosed
US-20180310564-A1 Mesoionic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2018-11-01 — — US disclosed
EP-3287457-A1 MESOIONIC COMPOUND Nippon Kayaku Kabushiki Kaisha (JP) 2018-02-28 — — EP disclosed
EP-2658856-B1 MESOIONIC PYRIDO [1,2-A] PYRIMIDINE PESTICIDES DU PONT (US) 2015-02-25 — — EP disclosed
US-20150038329-A1 MESOIONIC PESTICIDES DU PONT (US) 2015-02-05 — — US disclosed
US-8895738-B2 Mesoionic pyrido [1, 2-A] pyrimidine pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-25 — — US disclosed
EP-2658856-A1 MESOIONIC PYRIDO [1,2 -A]PYRIMIDINE PESTICIDES E.I. Du Pont De Nemours And Company (US) 2013-11-06 — — EP disclosed
US-20130190171-A1 MESOIONIC PYRIDO [1, 2-A] PYRIMIDINE PESTICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-07-25 — — US disclosed
WO-2012092115-A1 MESOIONIC PYRIDO [1,2 -A] PYRIMIDINE PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-05 — — 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 (3 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-20150038329-A1 MESOIONIC PESTICIDES C5, DDT, CBR3 CES2 304/4885PPARG 4492/4885ACP3 3048/4885
US-20130190171-A1 MESOIONIC PYRIDO [1, 2-A] PYRIMIDINE PESTICIDES PNPO, C5, CBR3 CES2 639/4885PPARG 4409/4885ACP3 3653/4885
US-20180310564-A1 Mesoionic Compound MTX1, METTL3, MTX2 CES2 1287/4885PPARG 1939/4885ACP3 3728/4885

“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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