SCHEMBL14747173

SCHEMBL14747173

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.45
LPAR1 Q92633 2/20 0.45
LPAR2 Q9HBW0 2/20 0.45
KDM5A P29375 4/20 0.44
KDM4C Q9H3R0 4/20 0.44
PHF8 Q9UPP1 2/20 0.44
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42

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
SCHEMBL14740737 0.87 LPAR3 (0.46) LPAR3LPAR1LPAR2KDM5AKDM4C
SCHEMBL14770376 0.86 FAAH (0.47) LPAR3LPAR1LPAR2
SCHEMBL14773999 0.85 DNM1 (0.49) LPAR3LPAR1LPAR2
SCHEMBL14760633 0.85 LPAR3 (0.47) LPAR3LPAR1LPAR2GPR84PPARG
SCHEMBL16420208 0.84 LPAR3 (0.48) LPAR3LPAR1LPAR2ESR1
SCHEMBL14770371 0.82 LPAR3 (0.53) LPAR3LPAR1LPAR2ESR1
SCHEMBL16420209 0.79 LPAR1 (0.41) LPAR3LPAR1LPAR2TSHR
SCHEMBL14760581 0.78 LPAR3 (0.51) LPAR3LPAR1LPAR2PPARGPPARD
SCHEMBL14760582 0.78 LPAR3 (0.51) LPAR3LPAR1LPAR2PPARGPPARD
SCHEMBL16420211 0.78 LPAR1 (0.40) LPAR3LPAR1LPAR2TSHR

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 11 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
US-20150030541-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2015-01-29 US disclosed
US-8889657-B2 Nanoparticle PEG modification with H-phosphonates MALLINCKRODT LLC (US) 2014-11-18 US disclosed
US-8889657-B2 Nanoparticle PEG modification with H-phosphonates MALLINCKRODT LLC (US) 2014-11-18 US disclosed
US-8889657-B2 Nanoparticle PEG modification with H-phosphonates MALLINCKRODT LLC (US) 2014-11-18 US disclosed
EP-2750712-A2 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES Mallinckrodt LLC (US) 2014-07-09 EP disclosed
US-20130066086-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MALLINCKRODT LLC (US) 2013-03-14 US disclosed
US-20130066086-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MALLINCKRODT LLC (US) 2013-03-14 US disclosed
US-20130066086-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MALLINCKRODT LLC (US) 2013-03-14 US disclosed
WO-2013033438-A2 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MALLINCKRODT LLC (US) 2013-03-07 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 (2 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 LPAR3 679/4885LPAR1 773/4885LPAR2 1113/4885
US-20130066086-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES PHOSPHO1, PHPT1, HPSE LPAR3 679/4885LPAR1 773/4885LPAR2 1113/4885

“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.