SCHEMBL4023336

SCHEMBL4023336

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(C(=O)OCCCCN(C)C)CC1C(=O)c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.36
KDM4E B2RXH2 2/20 0.35
BRD4 O60885 1/20 0.33
BCHE P06276 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 3/20 0.32
HSP90B1 P14625 1/20 0.32
TRAP1 Q12931 1/20 0.32
LMNA P02545 1/20 0.32
MET P08581 2/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL4023344 1.00 KDR (0.36) KDRKDM4EBRD4BCHEL3MBTL1
SCHEMBL4022805 0.94 KDR (0.36) KDRKDM4EBRD4BCHEL3MBTL1
SCHEMBL4022808 0.94 KDR (0.36) KDRKDM4EBRD4BCHEL3MBTL1
SCHEMBL4019114 0.86 SIGMAR1 (0.38) KDRBCHEMGLLHSP90B1TRAP1
SCHEMBL4019124 0.86 SIGMAR1 (0.38) KDRBCHEMGLLHSP90B1TRAP1
SCHEMBL4025347 0.86 KIF11 (0.37) KDRKDM4EBCHE
SCHEMBL4022425 0.85 KIF11 (0.42) KDRBCHEMGLLOPRD1OPRK1
SCHEMBL4023151 0.85 HTR7 (0.37) KDRKDM4EBCHE
SCHEMBL4019102 0.84 ACHE (0.37) KDRKDM4EBCHEMGLL
SCHEMBL4021758 0.84 MGLL (0.36) BCHEMGLLOPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 KDR 4166/4885KDM4E 4110/4885BRD4 1115/4885

“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.