SCHEMBL11903304

SCHEMBL11903304

COCCOCCOC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc2[nH]cc(C)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDR P35968 1/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ROCK2 O75116 3/20 0.32
▸ ROCK1 Q13464 3/20 0.32
▸ PTGES O14684 2/20 0.32
▸ PYGL P06737 1/20 0.32
▸ MEP1B Q16820 1/20 0.32

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
SCHEMBL11913427 0.93 SMN1; SMN2 (0.37) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL11902297 0.93 PTGES (0.36) SMN1; SMN2ALDH1A1PTGESMEP1BMTNR1A
SCHEMBL1656974 0.90 GLP1R (0.35) SMN1; SMN2ALDH1A1MAPK1MEP1B
SCHEMBL1654723 0.88 NR4A2 (0.36) KDM4EALPLMEP1B
SCHEMBL11903307 0.87 PTGES (0.32) SMN1; SMN2MAPK1PTGESMEP1B
SCHEMBL11902933 0.86 SMN1; SMN2 (0.34) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL11903206 0.86 PKM (0.35) SMN1; SMN2KDM4EALDH1A1MAPK1ROCK2
SCHEMBL11902585 0.85 DHODH (0.39) SMN1; SMN2
SCHEMBL11902825 0.84 KMO (0.43) KDM4EALDH1A1MEP1B
SCHEMBL11903329 0.84 MEP1B (0.33) KDM4EALDH1A1MAPK1ALPLPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
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 ABCB11 1655/4885CYP3A4 435/4885ADRA2B 2316/4885

“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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