SCHEMBL4863792

SCHEMBL4863792

COc1ccc(OC)c(OCC(O)CN2CCNCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
KDM4E B2RXH2 2/20 0.54
MAPT P10636 4/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
ABCB1 P08183 3/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL5996256 0.85 POLB (0.70) POLBKDM4EMAPTTP53SMN1; SMN2
SCHEMBL7282988 0.85 POLB (0.70) POLBKDM4EMAPTTP53SMN1; SMN2
SCHEMBL1922663 0.85 POLB (0.70) POLBKDM4EMAPTTP53SMN1; SMN2
SCHEMBL4864531 0.84 KDM4E (0.74) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL4866196 0.82 TP53 (0.73) KDM4EMAPTTP53SMN1; SMN2MEN1
SCHEMBL7282715 0.82 KDM4E (0.53) POLBKDM4EMAPTTP53SMN1; SMN2
SCHEMBL11367331 0.82 MEN1 (0.54) POLBKDM4EMAPTTP53SMN1; SMN2
SCHEMBL11098627 0.78 PDE4A (0.66) KDM4EMAPTKMT2A
SCHEMBL7278720 0.78 POLB (0.63) POLBKDM4EMAPTTP53SMN1; SMN2
SCHEMBL7282006 0.78 KMT2A (0.72) POLBMAPTTP53SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 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 (2 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A POLB 2675/4885KDM4E 2975/4885MAPT 4833/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A POLB 2485/4885KDM4E 2949/4885MAPT 4829/4885

“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.