SCHEMBL5077199

SCHEMBL5077199

COC=C(C(=O)O)c1ccccc1COc1cc(Cl)c(OCC2CC2(Cl)Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
NR4A2 P43354 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ADAM17 P78536 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR5 Q9H228 2/20 0.33
PRKX P51817 1/20 0.33
ACVR1 Q04771 1/20 0.33
HIF1A Q16665 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ABL1 P00519 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5077196 1.00 TP53 (0.35) TP53HTTMRGPRX4NR4A2RAB9A
SCHEMBL5074543 0.92 HIF1A (0.38) MRGPRX4ADAM17HIF1AMEN1KMT2A
SCHEMBL5077198 0.91 TP53 (0.37) TP53HTTMRGPRX4NR4A2RAB9A
SCHEMBL5074588 0.89 TP53 (0.37) TP53HTTMRGPRX4NR4A2RAB9A
SCHEMBL5074596 0.89 TP53 (0.37) TP53HTTMRGPRX4NR4A2RAB9A
SCHEMBL5076346 0.88 HIF1A (0.36) HTTADAM17HIF1AMEN1GAA
SCHEMBL6149441 0.87 MRGPRX4 (0.42) TP53HTTMRGPRX4S1PR1S1PR5
SCHEMBL5077019 0.87 SLC16A3 (0.38) TP53HTTMRGPRX4
SCHEMBL6149436 0.87 MRGPRX4 (0.42) TP53HTTMRGPRX4S1PR1S1PR5
SCHEMBL5077005 0.87 SLC16A3 (0.38) TP53HTTMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435844-B2 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2008-10-14 US claimed
US-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2006-10-19 US claimed
EP-1494991-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES Isagro Ricerca S.r.l. (IT) 2005-01-12 EP claimed
WO-2003087032-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES ISAGRO RICERCA S.R.L. (IT) 2003-10-23 WO claimed
US-7435844-B2 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2008-10-14 US disclosed
US-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2006-10-19 US disclosed
EP-1494991-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES Isagro Ricerca S.r.l. (IT) 2005-01-12 EP disclosed
WO-2003087032-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES ISAGRO RICERCA S.R.L. (IT) 2003-10-23 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-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides DDT, RYR1, TPMT TP53 2842/4885HTT 4420/4885MRGPRX4 989/4885

“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.