SCHEMBL5074596

SCHEMBL5074596

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
PDE4B Q07343 1/20 0.35
NR4A2 P43354 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KAT6A Q92794 1/20 0.35
S1PR1 P21453 1/20 0.34
PRKX P51817 1/20 0.34
ACVR1 Q04771 1/20 0.34
S1PR5 Q9H228 1/20 0.34
PDE4D Q08499 1/20 0.34
CXCR5 P32302 1/20 0.34

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
SCHEMBL5074588 1.00 TP53 (0.37) TP53HTTSLC16A3SLC16A1MCTS1
SCHEMBL5077019 0.96 SLC16A3 (0.38) TP53HTTSLC16A3SLC16A1MCTS1
SCHEMBL5077005 0.96 SLC16A3 (0.38) TP53HTTSLC16A3SLC16A1MCTS1
SCHEMBL5079635 0.95 THRA (0.39) TP53HTTSLC16A3SLC16A1MCTS1
SCHEMBL5075822 0.95 THRA (0.39) TP53HTTSLC16A3SLC16A1MCTS1
SCHEMBL5074593 0.91 TP53 (0.39) TP53HTTSLC16A3SLC16A1MCTS1
SCHEMBL5077196 0.89 TP53 (0.35) TP53HTTMRGPRX4NR4A2NPC1
SCHEMBL5077199 0.89 TP53 (0.35) TP53HTTMRGPRX4NR4A2NPC1
SCHEMBL5077013 0.87 SLC16A3 (0.40) TP53HTTSLC16A3SLC16A1MCTS1
SCHEMBL5075974 0.87 RAB9A (0.46) TP53HTTMRGPRX4NR4A2NPC1

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 6 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
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 4420/4885SLC16A3 2720/4885

“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.