SCHEMBL16420209

SCHEMBL16420209

CCCCCCCCCCCCCCCCCCOP(=O)(CN(C)CCC(=O)NCCOCCOC)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.41
LPAR2 Q9HBW0 4/20 0.41
ENPP2 Q13822 1/20 0.41
DNM1 Q05193 2/20 0.41
CNR1 P21554 1/20 0.40
CASP2 P42575 1/20 0.37
TSHR P16473 1/20 0.36
NAAA Q02083 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLP1R P43220 3/20 0.35
LPAR3 Q9UBY5 3/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL16420211 0.98 LPAR1 (0.40) LPAR1LPAR2ENPP2DNM1CNR1
SCHEMBL14770379 0.98 LPAR1 (0.40) LPAR1LPAR2ENPP2DNM1CNR1
SCHEMBL14760918 0.92 LPAR1 (0.38) LPAR1LPAR2ENPP2DNM1CNR1
SCHEMBL14773999 0.88 DNM1 (0.49) LPAR1LPAR2ENPP2DNM1CASP2
SCHEMBL14770376 0.85 FAAH (0.47) LPAR1LPAR2ENPP2DNM1CASP2
SCHEMBL14747173 0.79 LPAR3 (0.45) LPAR1LPAR2TSHRLPAR3
SCHEMBL24950256 0.78 CNR1 (0.57) LPAR1LPAR2ENPP2DNM1CNR1
SCHEMBL13566316 0.78 CNR1 (0.57) LPAR1LPAR2ENPP2DNM1CNR1
SCHEMBL14438836 0.78 CNR1 (0.57) LPAR1LPAR2ENPP2DNM1CNR1
SCHEMBL14438834 0.78 CNR1 (0.57) LPAR1LPAR2ENPP2DNM1CNR1

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-20150030541-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2015-01-29 US disclosed
US-20150030541-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2015-01-29 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-20150030541-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES PHOSPHO1, PHPT1, HPSE LPAR1 773/4885LPAR2 1113/4885ENPP2 255/4885

“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.