SCHEMBL11903414

SCHEMBL11903414

CCCCOC(C)OC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc2[nH]cc(C)c12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 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
SCHEMBL11902404 0.92 L3MBTL1 (0.32) L3MBTL1
SCHEMBL11903327 0.89 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL11903242 0.88 ALDH1A1 (0.33) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11903412 0.87 L3MBTL1 (0.31) L3MBTL1
SCHEMBL11902200 0.86 MEP1B (0.34) —
SCHEMBL11913425 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1PDE4APDE4BPDE4C
SCHEMBL11902938 0.85 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1
SCHEMBL11902785 0.85 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11903334 0.84 JAK3 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL1654718 0.83 TAS1R3 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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 (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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO SMN1; SMN2 3709/4885L3MBTL1 2005/4885ALDH1A1 718/4885

“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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