SCHEMBL6317951

SCHEMBL6317951

COc1cc(C=C(CNc2nc(C)cc(C)n2)P(=O)(N(C)C)N(C)C)cc(OC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
MEN1 O00255 5/20 0.40
CYP1A2 P05177 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 5/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
STAT3 P40763 1/20 0.34
NFE2L2 Q16236 1/20 0.34
GFER P55789 1/20 0.34
THRB P10828 1/20 0.34
NPC1 O15118 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
SCHEMBL6316814 0.67 NPSR1 (0.37) KMT2AMEN1CYP1A2HPGDPOLB
SCHEMBL7079812 0.62 HMGCR (0.63) KMT2AMEN1CYP1A2HPGDPOLB
SCHEMBL7522505 0.61 KMT2A (0.55) KMT2AMEN1CYP1A2HPGDPOLB
SCHEMBL20395525 0.61 MAPT (0.58) KMT2ACYP1A2HPGDGAAMAPT
SCHEMBL2897877 0.60 KMT2A (0.57) KMT2AMEN1CYP1A2HPGDPOLB
SCHEMBL718131 0.60 PKM (0.59) KMT2AMEN1CYP1A2HPGDPOLB
SCHEMBL9121535 0.59 PKM (0.50) KMT2AMEN1CYP1A2HPGDPOLB
SCHEMBL9121538 0.59 PKM (0.50) KMT2AMEN1CYP1A2HPGDPOLB
SCHEMBL7083232 0.59 NR1I2 (0.63) KMT2AMEN1CYP1A2HPGDPOLB
SCHEMBL21963629 0.59 KMT2A (0.68) KMT2AMEN1SMN1; SMN2GAAMAPT

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 KMT2A 2953/4885MEN1 1006/4885CYP1A2 2243/4885

“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.