SCHEMBL20045671

SCHEMBL20045671

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1c(Cl)cc([N+](=O)[O-])cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NR1H4 Q96RI1 2/20 0.41
GPR35 Q9HC97 1/20 0.41
MAPT P10636 5/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
GALR3 O60755 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MCL1 Q07820 1/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL18651053 0.85 ALDH1A1 (0.42) ALDH1A1GPR35MAPTLMNAKMT2A
SCHEMBL18146192 0.82 MAPT (0.39) ALDH1A1MAPTLMNAKMT2AHTT
SCHEMBL6355957 0.82 HSD17B10 (0.45) ALDH1A1NR1H4MAPTLMNAKMT2A
SCHEMBL21379373 0.80 PKM (0.35) ALDH1A1GPR35MAPTLMNAKMT2A
SCHEMBL9909962 0.80 ALDH1A1 (0.42) ALDH1A1NR1H4MAPTLMNAKMT2A
SCHEMBL31453190 0.80 ALDH1A1 (0.42) ALDH1A1NR1H4MAPTLMNAKMT2A
SCHEMBL12031273 0.79 HSD17B10 (0.45) ALDH1A1NR1H4MAPTLMNAKMT2A
SCHEMBL29534093 0.79 HSD17B10 (0.45) ALDH1A1NR1H4MAPTLMNAKMT2A
SCHEMBL20045658 0.78 NR1H4 (0.36) ALDH1A1NR1H4
SCHEMBL19776245 0.78 KCNH2 (0.35) ALDH1A1MAPTLMNA

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 12 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
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN 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
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 ALDH1A1 355/4885NR1H4 4613/4885GPR35 3448/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 386/4885NR1H4 4393/4885GPR35 4021/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD ALDH1A1 386/4885NR1H4 4393/4885GPR35 4021/4885
US-11944099-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD ALDH1A1 443/4885NR1H4 4363/4885GPR35 3952/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 443/4885NR1H4 4363/4885GPR35 3952/4885
US-20250228239-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 443/4885NR1H4 4363/4885GPR35 3952/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD ALDH1A1 343/4885NR1H4 4376/4885GPR35 4128/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 355/4885NR1H4 4613/4885GPR35 3448/4885

“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.