SCHEMBL6319074

SCHEMBL6319074

Cc1nc(C(CCc2cnc3ccccc3c2)P2(=O)CCC(C)(C)CO2)[nH]c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
FAAH O00519 7/20 0.33
DOCK5 Q9H7D0 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
PDE10A Q9Y233 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
KCNH2 Q12809 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30

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
SCHEMBL6318257 0.72 KDR (0.36) FLT1KDRHDAC6NOTUM
SCHEMBL6317500 0.69 KDM4E (0.45) FAAHKDRHDAC6NOTUM
SCHEMBL6317920 0.68 CHRNB2 (0.36) FLT1KDRMGAMNOTUM
SCHEMBL6317918 0.66 CHRNB2 (0.34) KDRHDAC1MGAMNOTUM
SCHEMBL6318837 0.66 KDR (0.36) DHODHFAAHDPP4DPP8KDR
SCHEMBL6317989 0.65 KDR (0.37) FLT1KDRHDAC6NOTUM
SCHEMBL6317995 0.62 KDR (0.40) FLT1KDRHDAC6NOTUM
SCHEMBL530633 0.61 MGAM (0.49) DHODHFAAHDPP4DPP8KDR
SCHEMBL3396692 0.59 CYP1A2 (0.55) DHODHPDE10AHDAC3HDAC1HDAC2
SCHEMBL12328198 0.59 CYP1A2 (0.42) PDE10A

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 DHODH 4430/4885FAAH 2332/4885DOCK5 2457/4885

“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.