SCHEMBL4086003

SCHEMBL4086003

O=C(O)CCCCCCCCOc1cccc(O)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.67
CNR1 P21554 2/20 0.67
ALB P02768 1/20 0.57
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53
PPARA Q07869 2/20 0.53
FABP1 P07148 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
ACSL1 P33121 1/20 0.50
ACSL6 Q9UKU0 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 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
SCHEMBL4081340 1.00 CNR2 (0.67) CNR2CNR1ALBCYSLTR2CYSLTR1
SCHEMBL4076679 1.00 CNR2 (0.67) CNR2CNR1ALBCYSLTR2CYSLTR1
SCHEMBL4110127 1.00 CNR2 (0.67) CNR2CNR1ALBCYSLTR2CYSLTR1
SCHEMBL4114764 1.00 CNR2 (0.67) CNR2CNR1ALBCYSLTR2CYSLTR1
SCHEMBL2158881 1.00 CNR2 (0.67) CNR2CNR1ALBCYSLTR2CYSLTR1
SCHEMBL3937528 0.98 CNR2 (0.64) CNR2CNR1ALBCYSLTR2CYSLTR1
SCHEMBL3947131 0.93 CNR2 (0.58) CNR2CNR1CYSLTR2CYSLTR1CHRNB2
Hexanoate SCHEMBL28988124 0.93 CNR2 (0.60) CNR2CNR1CYSLTR2CYSLTR1
SCHEMBL30639265 0.90 PPARA (0.58) ALBCYSLTR2CYSLTR1PPARAFABP1
Azelaic Acid SCHEMBL28605694 0.89 FFAR1 (0.63) CNR2CNR1CYSLTR2CYSLTR1HDAC1

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-7527809-B2 Polyhydroxyalkanoate-containing magnetic structure, and manufacturing method and use thereof CANON KABUSHIKI KAISHA (JP) 2009-05-05 US disclosed
US-20060263432-A1 Useful as a sustained release pharmaceutical preparation; microcapsule stably containing a drug, especially a water-soluble drug at high content and which has magnetic property; drug delivery; excellent in dispersibility and magnetic response CANON KABUSHIKI KAISHA (JP) 2006-11-23 US disclosed
WO-2004096188-A1 POLYHYDROXYALKANOATE-CONTAINING MAGNETIC STRUCTURE, AND MANUFACTURING METHOD AND USE THEREOF CANON KABUSHIKI KAISHA (JP) 2004-11-11 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-20060263432-A1 Useful as a sustained release pharmaceutical preparation; microcapsule stably containing a drug, especially a water-soluble drug at high content and which has magnetic property; drug delivery; excellent in dispersibility and magnetic response SKP1, HAMP, AUP1 CNR2 1838/4885CNR1 1382/4885ALB 190/4885

“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.