SCHEMBL21462316

SCHEMBL21462316

Cc1nc2c(F)c(F)ccc2cc1Oc1cccc(F)c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ ESR1 P03372 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
SCHEMBL28630877 0.88 LMNA (0.33) ALDH1A1ESR1
SCHEMBL31576195 0.88 LMNA (0.33) ALDH1A1ESR1
SCHEMBL28719774 0.86 PTGS1 (0.34) ABCG2
SCHEMBL26440720 0.84 PDE2A (0.34) ALDH1A1ESR1
SCHEMBL18796398 0.82 MAP4K4 (0.34) ALDH1A1ESR1
SCHEMBL18796008 0.82 ALDH1A1 (0.32) ALDH1A1ESR1
SCHEMBL23271477 0.81 GUCY1B2 (0.32) ABCG2
SCHEMBL20104491 0.81 KDM4E (0.38) ALDH1A1ESR1
SCHEMBL18796130 0.80 ALDH1A1 (0.30) ALDH1A1ESR1
SCHEMBL21462376 0.80 KMT2A (0.32) ALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250040552-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2025-02-06 — — US claimed
EP-4117434-A1 METHODS OF CONTROLLING OR PREVENTING INFESTATION OF PLANTS BY THE PHYTOPATHOGENIC MICROORGANISM CORYNESPORA CASSIICOLA, CERCOSPORA SOJINA AND/OR CERCOSPORA KIKUCHII Syngenta Crop Protection AG (CH) 2023-01-18 — — EP disclosed
US-11542280-B2 Substituted pyrimidinium compounds and derivatives for combating animal pests BASF SE (DE) 2023-01-03 — — US disclosed
CN-115087650-A Substituted thiophenecarboxamides and derivatives thereof as microbiocides 拜耳公司 2022-09-20 — — CN disclosed
US-20220289691-A1 5-AMINO-SUBSTITUTED PYRAZOLES AND TRIAZOLES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-09-15 — — US disclosed
CN-115038698-A Thienyl oxazolones and analogs 拜耳公司 2022-09-09 — — CN disclosed
CN-114423748-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2022-04-29 — — CN disclosed
CN-113840533-A Active compound combinations 拜耳公司 2021-12-24 — — CN disclosed
EP-3774748-A1 OXADIAZOLINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-02-17 — — EP disclosed
WO-2019197371-A1 OXADIAZOLINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 — — 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-20250040552-A1 FUNGICIDAL COMPOSITIONS CYP51A1, CYP4X1, CYP1B1 ABCG2 1009/4885ALDH1A1 477/4885ESR1 4217/4885
US-20220289691-A1 5-AMINO-SUBSTITUTED PYRAZOLES AND TRIAZOLES AS PEST CONTROL AGENTS API5, AAAS, AADAC ABCG2 2867/4885ALDH1A1 1786/4885ESR1 4389/4885
US-11542280-B2 Substituted pyrimidinium compounds and derivatives for combating animal pests THOP1, PNPO, TH ABCG2 1112/4885ALDH1A1 1935/4885ESR1 4596/4885

“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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