SCHEMBL6324431

SCHEMBL6324431

COc1cc(C(CNc2nc(C)cc(C)n2)P2(=O)OCCC2C)ccc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
SLC22A3 O75751 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
ALPL P05186 1/20 0.33
ALPG P10696 1/20 0.33
PLAA Q9Y263 1/20 0.33
PIK3CA P42336 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL6324435 0.82 NFKB1 (0.35) NFKB1SLC22A3SMN1; SMN2BLMPMP22
SCHEMBL6320357 0.78 NFKB1 (0.37) NFKB1SLC22A3SMN1; SMN2BLMPMP22
SCHEMBL6325944 0.76
SCHEMBL6325102 0.74 NPSR1 (0.32) NPSR1
SCHEMBL6324972 0.73 SMN1; SMN2 (0.42) NFKB1SMN1; SMN2TSHRCYP3A4MEN1
SCHEMBL6318666 0.71 LMNA (0.46) NFKB1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL6325149 0.70 NPSR1 (0.32) NPSR1
SCHEMBL6318053 0.70 NFKB1 (0.38) NFKB1SLC22A3BLMPMP22TSHR
SCHEMBL6322972 0.69 SLC22A3 (0.37) NFKB1SLC22A3BLMPMP22TSHR
SCHEMBL6320719 0.69 NPSR1 (0.32) LMNANPSR1

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 924/4885SLC22A3 1164/4885SMN1; 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.