SCHEMBL16394208

SCHEMBL16394208

CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(OC(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TTR P02766 1/20 0.52
▸ PPOX P50336 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PPARA Q07869 2/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ FBP1 P09467 3/20 0.36
▸ SCN9A Q15858 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ FFAR1 O14842 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
Lactofen SCHEMBL30606811 0.90 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL29462400 0.90 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL39523 0.90 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL30359837 0.90 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL8536001 0.90 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL9796531 0.90 MEN1 (0.66) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL7578489 0.87 TDP1 (0.72) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL7584572 0.86 MEN1 (0.60) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL7713721 0.86 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
Lactofen SCHEMBL23702595 0.85 TDP1 (0.59) TDP1MEN1KMT2ATTRPPOX

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-20150024940-A1 HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT DONGBU FARM HANNONG CO., LTD. (KR) 2015-01-22 — — 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-20150024940-A1 HERBICIDAL COMPOSITION COMPRISING URACIL COMPOUND AS ACTIVE INGREDIENT UNG, DDT, HDHD5 TDP1 458/4885MEN1 4570/4885KMT2A 766/4885

“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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