SCHEMBL6324435

SCHEMBL6324435

COc1cc(C(CNc2nc(C)cc(C)n2)P2(=O)CC[C@@H](C)O2)ccc1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
ALPL P05186 1/20 0.35
ALPG P10696 1/20 0.35
PLAA Q9Y263 1/20 0.35
SLC22A3 O75751 1/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 1/20 0.35
PIK3CA P42336 1/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6324431 0.82 NFKB1 (0.35) NFKB1ALPLALPGPLAASLC22A3
SCHEMBL6320357 0.80 NFKB1 (0.37) NFKB1ALPLALPGPLAASLC22A3
SCHEMBL6325948 0.76
SCHEMBL6324975 0.73 SMN1; SMN2 (0.40) NFKB1ALPGTSHRCYP3A4LMNA
SCHEMBL6318667 0.71 KDM4E (0.46) NFKB1ALPLLMNAMEN1KMT2A
SCHEMBL6317170 0.71 KDM4E (0.44) NFKB1ALPLLMNAMEN1KMT2A
SCHEMBL6322972 0.70 SLC22A3 (0.37) NFKB1SLC22A3BLMPMP22TSHR
SCHEMBL6325153 0.69 NPSR1 (0.32) LMNAMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL6325149 0.69 NPSR1 (0.32) NPSR1MAPTPOLB
SCHEMBL6254476 0.68 ALPL (0.40) ALPLALPGPLAALMNAMEN1

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 NFKB1 924/4885ALPL 425/4885ALPG 342/4885

“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.