SCHEMBL20045665

SCHEMBL20045665

Cc1c(N)cccc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
PIK3CA P42336 1/20 0.39
ESR1 P03372 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRM6 O15303 1/20 0.36
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.33
HSD17B10 Q99714 2/20 0.32
AAK1 Q2M2I8 1/20 0.31
CFTR P13569 1/20 0.31
BRD4 O60885 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TTR P02766 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SLC7A5 Q01650 1/20 0.30
SMARCA2 P51531 1/20 0.30

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
SCHEMBL30961659 1.00 CYP3A4 (0.39) CYP3A4TSHRPIK3CAESR1KCNH2
SCHEMBL20045664 0.86 GRM6 (0.34) ESR1KCNH2GRM6GAAAAK1
SCHEMBL29534046 0.86 GRM6 (0.34) ESR1KCNH2GRM6GAAAAK1
SCHEMBL30864316 0.85 GRM6 (0.38) TSHRGRM6ALDH1A1HSD17B10AAK1
SCHEMBL29223984 0.85 GRM6 (0.38) TSHRGRM6ALDH1A1HSD17B10AAK1
SCHEMBL18147566 0.83 SSTR4 (0.33) ESR1KCNH2GRM6ALDH1A1GAA
SCHEMBL28317708 0.81 ESR1 (0.34) CYP3A4TSHRPIK3CAESR1KCNH2
SCHEMBL29843472 0.81 MEN1 (0.37) GRM6ALDH1A1GAABRD4L3MBTL1
SCHEMBL21079102 0.79 MT-CO2 (0.32) GRM6AAK1
SCHEMBL21964516 0.77 ESR1 (0.34) CYP3A4TSHRPIK3CAESR1KCNH2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250228239-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-07-17 US disclosed
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
US-11944099-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto CORTEVA AGRISCIENCE LLC (US) 2024-04-02 US disclosed
EP-3971166-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Corteva Agriscience LLC (US) 2022-03-23 EP disclosed
EP-3971166-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Corteva Agriscience LLC (US) 2022-03-23 EP disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2021-05-04 US disclosed
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN disclosed
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-06 US disclosed
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-23 US disclosed
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-04-16 US disclosed
US-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-12 US disclosed
US-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-12 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 (8 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-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CYP3A4 1203/4885TSHR 2640/4885PIK3CA 109/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CYP3A4 859/4885TSHR 3272/4885PIK3CA 159/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD CYP3A4 859/4885TSHR 3272/4885PIK3CA 159/4885
US-11944099-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD CYP3A4 933/4885TSHR 3383/4885PIK3CA 133/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD CYP3A4 933/4885TSHR 3383/4885PIK3CA 133/4885
US-20250228239-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD CYP3A4 933/4885TSHR 3383/4885PIK3CA 133/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD CYP3A4 1017/4885TSHR 3687/4885PIK3CA 147/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CYP3A4 1203/4885TSHR 2640/4885PIK3CA 109/4885

“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.