SCHEMBL6319626

SCHEMBL6319626

COc1cc(C=C(CNc2cnc3ccccc3c2)P2(=O)N[C@@H](C)[C@H](C)O2)cc(OC)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 3/20 0.45
HTT P42858 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ALOX12 P18054 1/20 0.39
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
TRPM5 Q9NZQ8 1/20 0.36
ALPL P05186 6/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6317821 0.89 KDR (0.39) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL6319622 0.79 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL6317953 0.69 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL6325670 0.68 KDR (0.38) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL6323306 0.68 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL6319841 0.67 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL6318667 0.67 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL6317995 0.66 KDR (0.40) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL6318666 0.66 LMNA (0.46) KDM4EALDH1A1SMN1; SMN2GAAHTT
SCHEMBL6318604 0.64 MEN1 (0.39) KDM4EALDH1A1SMN1; SMN2GAAHTT

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 4526/4885SMN1; SMN2 4738/4885

“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.