SCHEMBL6323303

SCHEMBL6323303

COc1cc(C(CNc2cnc3ccccc3c2)P2(=O)OCC(C)(C)O2)cc(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALOX12 P18054 1/20 0.38
NOTUM Q6P988 1/20 0.37
KDR P35968 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALPL P05186 7/20 0.35
GFER P55789 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
SCHEMBL6323306 0.85 KDM4E (0.47) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6325542 0.82 CHEK1 (0.31)
SCHEMBL6317168 0.81 KDM4E (0.44) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6317500 0.81 KDM4E (0.45) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6325319 0.81 KDR (0.44) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6317170 0.80 KDM4E (0.44) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6318666 0.76 LMNA (0.46) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6317771 0.74 LMNA (0.48) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6317953 0.74 KDM4E (0.46) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL6318667 0.74 KDM4E (0.46) KDM4EALDH1A1LMNASMN1; SMN2GAA

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 KDM4E 3443/4885ALDH1A1 4526/4885LMNA 144/4885

“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.