SCHEMBL6319681

SCHEMBL6319681

COc1cc(C(CNc2ccc(C)nc2C)P2(=O)CCCCC2)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A3 O75751 1/20 0.39
NFKB1 P19838 1/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 1/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLS O94925 1/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4D Q08499 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
SCHEMBL6322972 0.85 SLC22A3 (0.37) SLC22A3NFKB1BLMPMP22TSHR
SCHEMBL6319568 0.82 SLC22A3 (0.40) SLC22A3NFKB1BLMPMP22TSHR
SCHEMBL6320582 0.81 NFKB1 (0.35) SLC22A3NFKB1BLMPMP22TSHR
SCHEMBL6319816 0.78 PDE5A (0.32) LMNA
SCHEMBL6395956 0.77 KDM4E (0.32) NPSR1GAALMNA
SCHEMBL6395954 0.73 KDM4E (0.30) NPSR1GAALMNA
SCHEMBL6319174 0.72
SCHEMBL6268716 0.72 MAPT (0.31) NPSR1GAALMNA
SCHEMBL6319409 0.72 GAA (0.33) CYP3A4NPSR1GAALMNA
SCHEMBL6254476 0.72 ALPL (0.40) NPSR1ALDH1A1GAALMNAMEN1

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 SLC22A3 1164/4885NFKB1 924/4885BLM 3200/4885

“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.