SCHEMBL22897654

SCHEMBL22897654

COc1ccc(C(C)OC)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MCOLN3 Q8TDD5 1/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ ABCC1 P33527 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42

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
SCHEMBL14154117 0.87 ALDH1A1 (0.53) ALDH1A1MAPK1MAPTSMN1; SMN2KDM4E
SCHEMBL20970479 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1MAPTSMN1; SMN2KDM4E
SCHEMBL1665992 0.83 ALDH1A1 (0.49) ALDH1A1MAPK1MAPTSMN1; SMN2KDM4E
SCHEMBL3574911 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTSMN1; SMN2KDM4E
SCHEMBL29561079 0.82 TSHR (0.55) ALDH1A1MAPK1MAPTKDM4ELMNA
SCHEMBL18579241 0.82 TSHR (0.55) ALDH1A1MAPK1MAPTKDM4ELMNA
SCHEMBL11512601 0.82 TDP1 (0.49) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL2065858 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTSMN1; SMN2KDM4E
SCHEMBL3578655 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTSMN1; SMN2KDM4E
SCHEMBL1665674 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 — — US disclosed
EP-3998858-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2022-05-25 — — EP disclosed
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 — — CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — 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 (1 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-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 150/4885MAPK1 2087/4885MAPT 2206/4885

“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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