SCHEMBL8209889

SCHEMBL8209889

CC(C)(C)OCCOCCOCCOc1cc(CO)cc(OCCOCCOCCOC(C)(C)C)c1OCCOCCOCCOC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 3/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL8209467 0.91 HTR1A (0.30)
SCHEMBL13400892 0.89 TUBB4A (0.32)
SCHEMBL8214177 0.84 L3MBTL1 (0.35) SMN1; SMN2CNR1CNR2L3MBTL1LMNA
SCHEMBL13434838 0.82
SCHEMBL18281574 0.82 L3MBTL1 (0.37) SMN1; SMN2ALOX15TSHRHSD17B10L3MBTL1
SCHEMBL796662 0.82 L3MBTL1 (0.37) SMN1; SMN2ALOX15TSHRHSD17B10L3MBTL1
SCHEMBL13434827 0.79 ALDH1A1 (0.32) SMN1; SMN2LMNAALDH1A1KDM4EHTT
SCHEMBL13448827 0.79 POLB (0.41) SMN1; SMN2ALOX15TSHRHSD17B10L3MBTL1
SCHEMBL16232209 0.77 RARB (0.38) SMN1; SMN2ALOX15TSHRHSD17B10L3MBTL1
SCHEMBL13400875 0.77 MAPT (0.40) SMN1; SMN2TSHRL3MBTL1LMNAALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404216-B2 Dendritic chelated compounds, methods for making the same and pharmaceutical compositions containing the same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-03-26 US disclosed
US-8404216-B2 Dendritic chelated compounds, methods for making the same and pharmaceutical compositions containing the same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-03-26 US disclosed
US-20100104512-A1 Dendritic Chelated Compounds, Methods for Making the Same and Pharmaceutical Compositions Containing the Same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-04-29 US disclosed
US-20100104512-A1 Dendritic Chelated Compounds, Methods for Making the Same and Pharmaceutical Compositions Containing the Same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-04-29 US disclosed
WO-2008043911-A2 DENDRITIC CHELATED COMPOUNDS, METHODS FOR MAKING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-04-17 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-20100104512-A1 Dendritic Chelated Compounds, Methods for Making the Same and Pharmaceutical Compositions Containing the Same ZYX, CXCR4, ZFX SMN1; SMN2 4668/4885ALOX15 2789/4885TSHR 2483/4885

“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.