SCHEMBL5014974

SCHEMBL5014974

COc1cc(-c2c3c(nc4cc(Cl)ccc24)COC3=O)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.52
PDE1B Q01064 2/20 0.52
PDE3B Q13370 2/20 0.52
PDE1C Q14123 2/20 0.52
PDE3A Q14432 2/20 0.52
PDE5A O76074 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
ELANE P08246 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP19A1 P11511 1/20 0.42
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.40
PDGFRB P09619 2/20 0.40

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
SCHEMBL20788983 0.85 PDE3B (0.63) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL5015003 0.81 PDE1A (0.53) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL29249103 0.81 ESR1 (0.52) MEN1KMT2AACHEKDM4EALOX5
SCHEMBL8133213 0.75 PDE3B (0.50) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL8132968 0.75 MEN1 (0.53) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL7274477 0.74 ACHE (0.43) MEN1KMT2ABCHEACHE
SCHEMBL29249101 0.74 ALOX5 (0.56) MEN1KMT2ACYP19A1TP53TSHR
SCHEMBL29249095 0.71 MEN1 (0.51) MEN1KMT2ALMNAKDM4EALOX5
SCHEMBL29249036 0.71 MEN1 (0.48) PDE5AMEN1KMT2ATP53LMNA
SCHEMBL29249055 0.69 MEN1 (0.52) MEN1KMT2AACHELMNAKDM4E

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-20080113994-A1 Annelated Quinoline Derivatives As Pesticide VELTEN ROBERT 2008-05-15 US disclosed
US-20080113994-A1 Annelated Quinoline Derivatives As Pesticide VELTEN ROBERT 2008-05-15 US disclosed
US-20080113994-A1 Annelated Quinoline Derivatives As Pesticide VELTEN ROBERT 2008-05-15 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-20080113994-A1 Annelated Quinoline Derivatives As Pesticide DDT, ACHE, SIRT4 PDE1A 257/4885PDE1B 250/4885PDE3B 531/4885

“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.