SCHEMBL14740734

SCHEMBL14740734

CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)N(C)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.50
LPAR2 Q9HBW0 6/20 0.50
LPAR1 Q92633 3/20 0.50
PLA2G2A P14555 1/20 0.43
BLM P54132 1/20 0.43
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
GPR84 Q9NQS5 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL14760823 0.91 LPAR3 (0.54) LPAR3LPAR2LPAR1BLMPPARG
SCHEMBL14760825 0.91 LPAR3 (0.54) LPAR3LPAR2LPAR1BLMPPARG
SCHEMBL14760633 0.78 LPAR3 (0.47) LPAR3LPAR2LPAR1PLA2G2ABLM
SCHEMBL14770380 0.77 LPAR3 (0.41) LPAR3LPAR2LPAR1PLA2G2ABLM
SCHEMBL14760893 0.76 LPAR3 (0.46) LPAR3LPAR2LPAR1PLA2G2ABLM
SCHEMBL14747177 0.75 LPAR3 (0.49) LPAR3LPAR2LPAR1PLA2G2ABLM
Hydrogen Peroxide SCHEMBL28279436 0.72 CYP3A4 (0.73) LPAR3LPAR2LPAR1TSHRESR1
SCHEMBL4267782 0.72 LPAR3 (0.57) LPAR3LPAR2LPAR1PPARGPPARD
SCHEMBL11156566 0.72 LPAR3 (0.52) LPAR3LPAR2LPAR1TSHRESR1
SCHEMBL11155216 0.71 LPAR3 (0.52) LPAR3LPAR2LPAR1TSHRMEN1

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-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
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
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 679/4885LPAR2 1113/4885LPAR1 773/4885
US-20130066086-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES PHOSPHO1, PHPT1, HPSE LPAR3 679/4885LPAR2 1113/4885LPAR1 773/4885

“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.