SCHEMBL6709441

SCHEMBL6709441

CCOc1ccc(C(O)c2ccncc2)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LTA4H P09960 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
LMNA P02545 6/20 0.40
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5388162 0.79 L3MBTL1 (0.51) L3MBTL1KMT2ANPSR1CYP3A4LTA4H
SCHEMBL4556519 0.78 LTA4H (0.50) L3MBTL1KMT2ALTA4HSMN1; SMN2ALDH1A1
SCHEMBL7148830 0.73 ADRA2A (0.46) KMT2ACYP3A4LTA4HLMNAALDH1A1
SCHEMBL3999254 0.72 BCHE (0.41) L3MBTL1HSP90AA1NPC1RAB9ABCHE
SCHEMBL4284989 0.71 CA12 (0.55) L3MBTL1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4000430 0.71 TYR (0.55) KMT2ACYP3A4LTA4HLMNASMN1; SMN2
SCHEMBL5378291 0.71 LTA4H (0.47) L3MBTL1KMT2ALTA4HLMNAHTT
SCHEMBL2687958 0.71 LMNA (0.56) L3MBTL1LMNAHTTSMN1; SMN2MAPT
SCHEMBL9114461 0.69 NQO1 (0.64) L3MBTL1KMT2ALTA4HLMNASMN1; SMN2
SCHEMBL1051397 0.69 LTA4H (0.57) KMT2ALTA4HALDH1A1MAPTHPGD

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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO 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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 L3MBTL1 4319/4885KMT2A 1470/4885NPSR1 51/4885

“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.