SCHEMBL16013855

SCHEMBL16013855

O=[N+]([O-])c1ccc2c(c1)CC(c1cccc(C(F)(F)F)c1)(C(F)(F)F)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.43
▸ KIF11 P52732 2/20 0.42
▸ MPO P05164 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ CXCR5 P32302 1/20 0.37
▸ APLNR P35414 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GRIK1 P39086 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ KDM1A O60341 3/20 0.36
▸ SLC6A9 P48067 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ HCAR3 P49019 1/20 0.35

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
SCHEMBL16013937 0.81 PNMT (0.35) MEN1MAPTKMT2ALMNAKDM1A
SCHEMBL16013892 0.80 TSHR (0.43) BACE1MAOBKDM1AHCAR3HCAR2
SCHEMBL16013588 0.80 KDM1A (0.39) KDM1AHCAR3HCAR2
SCHEMBL16196765 0.78 HCAR3 (0.40) MEN1MAPTKMT2ALMNAMAOB
SCHEMBL16196766 0.78 MAPT (0.37) MAPTKDM1AHCAR3HCAR2
SCHEMBL16196764 0.77 KDM1A (0.36) KIF11KDM1AHCAR3HCAR2
SCHEMBL16013734 0.76 TSHR (0.41) BACE1MAOBKDM1A
SCHEMBL30152324 0.75 KIF11 (0.46) BACE1KIF11MPOHSP90AA1CXCR5
SCHEMBL16196762 0.74 KDM1A (0.38) KDM1AHCAR3HCAR2
SCHEMBL16196877 0.73 NR4A1 (0.44) KIF11MEN1KMT2ALMNAHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598389-B2 Dihydrobenzofuran derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-03-21 — — US disclosed
US-9598389-B2 Dihydrobenzofuran derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-03-21 — — US disclosed
US-9598389-B2 Dihydrobenzofuran derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-03-21 — — US disclosed
US-20160016927-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-21 — — US disclosed
US-20160016927-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-21 — — US disclosed
US-20160016927-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-21 — — US disclosed
EP-2964025-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-01-13 — — EP disclosed
WO-2014135095-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-12 — — 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-20160016927-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS DDT, DHODH, ACHE BACE1 3345/4885KIF11 1528/4885MPO 2857/4885

“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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