SCHEMBL17797738

SCHEMBL17797738

CC(=O)OC1=C(c2cc(-c3ccc(Cl)cc3)ccc2C2CC2Cl)C(=O)C(C)(C)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 1/20 0.34
▸ EDNRA P25101 1/20 0.34
▸ ACACB O00763 2/20 0.32
▸ ACACA Q13085 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PGR P06401 1/20 0.31

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
SCHEMBL17797736 0.91 EDNRB (0.33) EDNRBEDNRAACACBACACA
SCHEMBL12129729 0.81 PGR (0.33) EDNRBEDNRAACACBACACAKDM4E
SCHEMBL29384538 0.79 EDNRB (0.39) EDNRBEDNRA
SCHEMBL15484261 0.79 EDNRB (0.39) EDNRBEDNRA
SCHEMBL29389530 0.78 GPBAR1 (0.35) EDNRBEDNRA
SCHEMBL14983768 0.78 GPBAR1 (0.35) EDNRBEDNRA
SCHEMBL17203072 0.76 CNR1 (0.32) —
SCHEMBL12129733 0.74 MEN1 (0.34) ACACBACACAKDM4EALDH1A1PGR
SCHEMBL15800885 0.74 PPARG (0.35) EDNRBEDNRAACACBACACAPGR
SCHEMBL28340174 0.74 ALOX5AP (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240058782-A1 New Microcapsules Containing Active Substances BASF SE (DE) 2024-02-22 — — US disclosed
US-20240016149-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2024-01-18 — — US disclosed
US-20230175005-A1 PLANTS HAVING INCREASED TOLERANCE TO HERBICIDES BASF SE (DE) 2023-06-08 — — US disclosed
US-11311014-B2 Crystalline forms of ethyl[3-[2-chloro-4-fluoro-5-(1-methyl-6-trifluoromethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-3-yl)phenoxy]-2-pyridyloxy]acetate BASF SE (DE) 2022-04-26 — — US disclosed
US-20210380999-A1 PLANTS HAVING INCREASED TOLERANCE TO HERBICIDES BASF AGRO BV (NL) 2021-12-09 — — US disclosed
US-20210145003-A1 MIXTURES COMPRISING A HERBICIDE AND A NITRIFICATION INHIBITOR SUCH AS 2-(3,4-DIMETHYL-1H-PYRAZOL-1-YL)SUCCINIC ACID (DMPSA) OR 3,4-DIMETHYL PYRAZOLIUM GLOCOLATE (DMPG) BASF SE (DE) 2021-05-20 — — US disclosed
US-20210137112-A1 Crystalline forms of ethyl[3-[2-chloro-4-fluoro-5-(1-methyl-6-trifluoromethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-3-yl)phenoxy]-2-pyridyloxy]acetate BASF SE (DE) 2021-05-13 — — US disclosed
US-10881109-B2 Herbicidal compositions comprising isoxazolo[5,4-b]pyridines BASF SE (DE) 2021-01-05 — — US disclosed
US-20200146289-A1 Herbicidal pyrimidine compounds BASF SE (DE) 2020-05-14 — — US disclosed
US-10479777-B2 Herbicidal azines BASF SE (DE) 2019-11-19 — — US disclosed
US-20190166841-A1 Method for Controlling PPO Resistant Weeds BASF CORORATION 2019-06-06 — — US disclosed
US-20190161451-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2019-05-30 — — US disclosed
US-20190150448-A1 Herbicidal Compositions Comprising Isoxazolo[5,4-B]Pyridines BASF SE (DE) 2019-05-23 — — US disclosed
US-20190078114-A1 PLANTS HAVING INCREASED TOLERANCE TO HERBICIDES BASF SE (DE) 2019-03-14 — — US disclosed
US-20180312864-A1 PLANTS HAVING INCREASED TOLERANCE TO HERBICIDES BASF SE (DE) 2018-11-01 — — US disclosed
US-9822105-B2 Diaminotriazine compounds as herbicides BASF SE (DE) 2017-11-21 — — US disclosed
US-9822082-B2 Diaminotriazine derivatives as herbicides BASF SE (DE) 2017-11-21 — — US disclosed
US-20170050954-A1 Diaminotriazine Compounds as Herbicides BASF SE (DE) 2017-02-23 — — US disclosed
US-20170029384-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-02 — — US disclosed
US-20160159770-A1 Herbicidal Azines BASF SE (DE) 2016-06-09 — — 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 (15 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-20240058782-A1 New Microcapsules Containing Active Substances PLA2G2C, PHOSPHO1, PSPH EDNRB 4390/4885EDNRA 4419/4885ACACB 2617/4885
US-20190150448-A1 Herbicidal Compositions Comprising Isoxazolo[5,4-B]Pyridines CYP4X1, CYP4Z1, PRDX4 EDNRB 4399/4885EDNRA 4689/4885ACACB 1400/4885
US-20210145003-A1 MIXTURES COMPRISING A HERBICIDE AND A NITRIFICATION INHIBITOR SUCH AS 2-(3,4-DIMETHYL-1H-PYRAZOL-1-YL)SUCCINIC ACID (DMPSA) OR 3,4-DIMETHYL PYRAZOLIUM GLOCOLATE (DMPG) GLO1, DDT, GMDS EDNRB 3147/4885EDNRA 2097/4885ACACB 905/4885
US-20230175005-A1 PLANTS HAVING INCREASED TOLERANCE TO HERBICIDES PPOX, PNPO, PAOX EDNRB 3710/4885EDNRA 4211/4885ACACB 783/4885
US-10479777-B2 Herbicidal azines DDT, QDPR, HDHD5 EDNRB 1500/4885EDNRA 1476/4885ACACB 2921/4885
US-20210137112-A1 Crystalline forms of ethyl[3-[2-chloro-4-fluoro-5-(1-methyl-6-trifluoromethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-3-yl)phenoxy]-2-pyridyloxy]acetate CYP4X1, CYP2F1, RCC1 EDNRB 4691/4885EDNRA 4289/4885ACACB 300/4885
US-20170029384-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES DDT, CBR3, AOC1 EDNRB 1921/4885EDNRA 2515/4885ACACB 1755/4885
US-20160159770-A1 Herbicidal Azines DDT, QDPR, HDHD5 EDNRB 1500/4885EDNRA 1476/4885ACACB 2921/4885
US-10881109-B2 Herbicidal compositions comprising isoxazolo[5,4-b]pyridines CYP4X1, CYP4Z1, PRDX4 EDNRB 4483/4885EDNRA 4656/4885ACACB 1146/4885
US-20240016149-A1 HERBICIDAL MALONAMIDES DDT, ACE, ME1 EDNRB 4462/4885EDNRA 4529/4885ACACB 1034/4885
US-20190161451-A1 HERBICIDAL PYRIMIDINE COMPOUNDS DPYD, TYMP, DHFR EDNRB 4085/4885EDNRA 4513/4885ACACB 1200/4885
US-20190166841-A1 Method for Controlling PPO Resistant Weeds PPOX, PNPO, NOTUM EDNRB 3744/4885EDNRA 4175/4885ACACB 565/4885
US-20170050954-A1 Diaminotriazine Compounds as Herbicides NR4A3, RXRB, CBR3 EDNRB 939/4885EDNRA 1454/4885ACACB 3334/4885
US-11311014-B2 Crystalline forms of ethyl[3-[2-chloro-4-fluoro-5-(1-methyl-6-trifluoromethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-3-yl)phenoxy]-2-pyridyloxy]acetate RCC1, CYP4X1, HAX1 EDNRB 4697/4885EDNRA 4334/4885ACACB 264/4885
US-20200146289-A1 Herbicidal pyrimidine compounds DPYD, DHFR, TYMP EDNRB 4050/4885EDNRA 4464/4885ACACB 1299/4885

“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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