SCHEMBL12914841

SCHEMBL12914841

CCCOCCOCC(COCC(COCC(COCC(COCC(COCC(COCCOCCCOO)OCCOCCC(=O)O)OCCOCCC(=O)O)OCCOCCC(=O)O)OCCOCCC(=O)O)OCCOCCC(=O)O)OCCOCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 4/20 0.39
▸ LPAR3 Q9UBY5 4/20 0.39
▸ PLA2G2C Q5R387 1/20 0.39
▸ TLR2 O60603 5/20 0.37
▸ LPAR2 Q9HBW0 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PLA2G4B P0C869 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PPARG P37231 3/20 0.32
▸ PPARD Q03181 3/20 0.32
▸ PPARA Q07869 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ GPR84 Q9NQS5 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL12317240 0.92 LPAR1 (0.34) LPAR1LPAR3PLA2G2CTLR2LPAR2
SCHEMBL12317193 0.87 LPAR1 (0.32) LPAR1LPAR3PLA2G2CTLR2
SCHEMBL25869902 0.81 LPAR1 (0.47) LPAR1LPAR3PLA2G2CTLR2LPAR2
SCHEMBL14329141 0.80 — —
SCHEMBL17418170 0.77 AKR1B1 (0.46) TLR2PLA2G4BAKR1B1PPARGPPARD
SCHEMBL11307106 0.76 LPAR1 (0.58) LPAR1LPAR3PLA2G2CTLR2LPAR2
SCHEMBL21935885 0.75 LPAR1 (0.35) LPAR1LPAR3PLA2G2CTLR2LPAR2
SCHEMBL16473876 0.75 HSD17B10 (0.44) LPAR1LPAR3TLR2LPAR2CYP3A4
SCHEMBL30864421 0.74 AKR1B1 (0.54) PLA2G2CTLR2PLA2G4BAKR1B1HTT
SCHEMBL12640102 0.74 FFAR4 (0.49) PLA2G2CTLR2PLA2G4BAKR1B1PPARG

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-20120329807-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties ELAN PHARMACEUTICALS, INC. (US) 2012-12-27 — — US disclosed
US-20110002876-A1 Multimeric VLA-4 Antagonists Comprising Polymer Moieties ELAN PHARMACEUTICALS, INC. 2011-01-06 — — 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 (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-20110002876-A1 Multimeric VLA-4 Antagonists Comprising Polymer Moieties VCAM1, ICAM1, ITGB4 LPAR1 150/4885LPAR3 146/4885PLA2G2C 1631/4885
US-20120329807-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties VCAM1, ICAM1, ITGB4 LPAR1 156/4885LPAR3 149/4885PLA2G2C 1614/4885

“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.

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