SCHEMBL6319387

SCHEMBL6319387

COc1cc(C(CNc2cnc(C)cn2)P2(=O)OCC(C)(C)CO2)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NFKB1 P19838 1/20 0.36
SLC22A3 O75751 1/20 0.36
BLM P54132 2/20 0.35
PMP22 Q01453 1/20 0.35
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE4D Q08499 1/20 0.34
LMNA P02545 1/20 0.32
CHEK1 O14757 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL6318053 0.92 NFKB1 (0.38) MEN1KMT2ACYP3A4GAANFKB1
SCHEMBL6319568 0.82 SLC22A3 (0.40) MEN1KMT2ACYP3A4GAANFKB1
SCHEMBL6325542 0.78 CHEK1 (0.31) CHEK1
SCHEMBL6323031 0.78 SLC22A3 (0.40) MEN1KMT2ACYP3A4NFKB1SLC22A3
SCHEMBL6319409 0.75 GAA (0.33) CYP3A4GAACYP1A2CYP2C9CYP2C19
SCHEMBL6317163 0.74 CYP1A2 (0.31) CYP3A4GAACYP1A2CYP2C9CYP2C19
SCHEMBL6325546 0.73 CHEK1 (0.31) CHEK1
SCHEMBL6272311 0.73 CYP1A2 (0.32) CYP3A4GAACYP1A2CYP2C9CYP2C19
SCHEMBL6321015 0.72 CYP1A2 (0.34) CYP3A4GAACYP1A2CYP2C9CYP2C19
SCHEMBL6325613 0.72 NFKB1 (0.38) MEN1KMT2ACYP3A4NFKB1SLC22A3

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 3 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
US-6889494-B2 Heat-resistant crimped yarn DU PONT-TORAY CO., LTD. (JP) 2005-05-10 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 MEN1 1006/4885KMT2A 2953/4885CYP3A4 2216/4885

“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.