SCHEMBL11903159

SCHEMBL11903159

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc2[nH]c(C)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ PKM P14618 2/20 0.34
▸ RCE1 Q9Y256 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ACLY P53396 2/20 0.34
▸ MEP1B Q16820 1/20 0.34
▸ S1PR4 O95977 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ PTGES O14684 2/20 0.33
▸ RHEB Q15382 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
SCHEMBL11903141 0.84 ALPL (0.36) ALPLKDM4EPKMRCE1MEP1B
SCHEMBL1653870 0.82 ACLY (0.36) ALPLKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1654723 0.81 NR4A2 (0.36) ALPLKDM4EPKMRCE1MEP1B
SCHEMBL1918762 0.81 KDM4E (0.39) ALPLKDM4EALDH1A1HSD17B10PKM
SCHEMBL20905102 0.80 ALPL (0.39) ALPLKDM4EALDH1A1HSD17B10PKM
SCHEMBL14354231 0.80 KDM4E (0.40) ALPLKDM4EALDH1A1HSD17B10PKM
SCHEMBL22366894 0.80 ALPL (0.41) ALPLKDM4EALDH1A1HSD17B10PKM
SCHEMBL115368 0.79 KDM4E (0.40) ALPLKDM4EALDH1A1HSD17B10PKM
SCHEMBL29442558 0.79 KDM4E (0.40) ALPLKDM4EALDH1A1HSD17B10PKM
SCHEMBL29423657 0.79 KDM4E (0.40) ALPLKDM4EALDH1A1HSD17B10PKM

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
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO ALPL 1784/4885KDM4E 3599/4885ALDH1A1 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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