SCHEMBL11902816

SCHEMBL11902816

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ MEP1B Q16820 1/20 0.34
▸ RHEB Q15382 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ACLY P53396 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LIMK1 P53667 1/20 0.31

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
SCHEMBL11903262 0.87 LIMK1 (0.31) RHEBLMNAGAATSHRHTT
SCHEMBL11902734 0.86 ACLY (0.39) TAS1R3TAS1R1LMNAACLYKDM4E
SCHEMBL11913443 0.84 ADORA2A (0.31) MEP1BGAAADORA2AADORA1KDM4E
SCHEMBL1654718 0.83 TAS1R3 (0.34) TAS1R3TAS1R1MEP1BRHEBACLY
SCHEMBL11918082 0.82 MEP1B (0.33) MEP1B
SCHEMBL1653870 0.81 ACLY (0.36) TAS1R3TAS1R1MEP1BRHEBACLY
SCHEMBL1918080 0.80 KDM4E (0.37) TAS1R3TAS1R1MEP1BACLYTAS1R2
SCHEMBL1654710 0.80 RHEB (0.40) RHEBADORA2AADORA1KDM4EALDH1A1
SCHEMBL117789 0.79 TAS1R3 (0.40) TAS1R3TAS1R1MEP1BTSHRACLY
SCHEMBL1115268 0.78 TAS1R3 (0.39) TAS1R3TAS1R1MEP1BTSHRACLY

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 3 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
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 TAS1R3 4361/4885TAS1R1 4355/4885MEP1B 2906/4885

“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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