SCHEMBL6317759

SCHEMBL6317759

O=C1Cc2cc(CC(CNc3cnc4ccccc4c3)P3(=O)OCCO3)ccc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
CDK2 P24941 3/20 0.36
AKT1 P31749 3/20 0.36
CDK1 P06493 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
CDC7 O00311 1/20 0.36
CCNE1 P24864 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
PTK2 Q05397 5/20 0.36
PTK2B Q14289 3/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TDP2 O95551 1/20 0.36
JAK3 P52333 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 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
SCHEMBL6320852 0.84 TDP2 (0.37) CDK2AKT1CDK1KITKDR
SCHEMBL6325709 0.76 PTK2 (0.37) OPRD1CDK2CDC7CCNE1DBF4
SCHEMBL6324395 0.72 BRD4 (0.35) OPRD1CDK2CDC7CCNE1DBF4
SCHEMBL6319893 0.71 PTK2 (0.35) CDK2CDC7CCNE1DBF4PTK2
SCHEMBL6317290 0.70 FGFR1 (0.35) OPRD1PTK2PTK2BTDP2JAK3
SCHEMBL6320162 0.68 PTK2 (0.35) CDK2KDRCDC7CCNE1DBF4
SCHEMBL6325319 0.66 KDR (0.44) KDRHDAC6NPC1MAPTNFKB1
SCHEMBL6317753 0.64 IGF1R (0.58) CDK2KDRPTK2PTK2BMET
SCHEMBL31192232 0.62 MET (0.50) HTR1ADRD2HTR2AMETMAOB
SCHEMBL4368021 0.61 AKT1 (0.74) CDK2AKT1CDK1KITKDR

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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 US claimed
US-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels APOB, LDLR, LPL OPRM1 3294/4885OPRD1 2465/4885CDK2 1197/4885

“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.