SCHEMBL6324547

SCHEMBL6324547

COc1cc(C(CNc2cnc(C)nc2C)P2(=O)OCC(C)(C)CO2)cc(C)c1O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6319760 0.92
SCHEMBL6272311 0.87 CYP1A2 (0.32) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL6317163 0.86 CYP1A2 (0.31) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL6317892 0.85
SCHEMBL6324620 0.85 CYP1A2 (0.32) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL6270667 0.82 CYP1A2 (0.31) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL6319409 0.82 GAA (0.33) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL6318094 0.81
SCHEMBL6319223 0.79
SCHEMBL6268716 0.78 MAPT (0.31) GAA

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 CYP1A2 2243/4885CYP3A4 2216/4885GAA 1102/4885

“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.