SCHEMBL6709103

SCHEMBL6709103

N#Cc1ccc(-c2ccc(OCCCCCl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.59
MMP2 P08253 5/20 0.58
HRH3 Q9Y5N1 11/20 0.58
HRH2 P25021 9/20 0.58
HRH1 P35367 9/20 0.58
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
MMP1 P03956 1/20 0.54
MMP9 P14780 1/20 0.54
MMP13 P45452 1/20 0.54
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL5624212 0.94 MMP2 (0.60) MMP3MMP2HRH3HRH2HRH1
SCHEMBL8748087 0.94 HRH3 (0.56) MMP3MMP2HRH3HRH2HRH1
SCHEMBL6731770 0.92 HRH3 (0.58) MMP3MMP2HRH3HRH2HRH1
SCHEMBL1778067 0.92 HRH3 (0.58) MMP3MMP2HRH3HRH2HRH1
SCHEMBL26602050 0.92 MMP3 (0.66) MMP3MMP2HRH3HRH2HRH1
SCHEMBL7978264 0.91 MMP2 (0.60) MMP3MMP2HRH3HRH2HRH1
SCHEMBL16841044 0.90 HDAC1 (0.67) MMP3MMP2HRH3HRH2HRH1
SCHEMBL18079151 0.90 HDAC1 (0.67) MMP3MMP2HRH3HRH2HRH1
SCHEMBL29444063 0.90 HDAC1 (0.67) MMP3MMP2HRH3HRH2HRH1
SCHEMBL1714609 0.88 HRH3 (0.54) MMP3MMP2HRH3HRH2HRH1

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 MMP3 1614/4885MMP2 2741/4885HRH3 1492/4885

“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.