SCHEMBL610334

SCHEMBL610334

CCCCCC/C=C\CCCC(=O)O[C@H](CCCCCCC)CCO[C@@H]1[C@@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCC[C@H](O)CCCCCCC)[C@@H]2O)O[C@H](COC)[C@H]1OP(=O)(O)O

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 16/20 0.79
LY96 Q9Y6Y9 1/20 0.41
NR5A2 O00482 1/20 0.39
NR5A1 Q13285 1/20 0.39

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
SCHEMBL12762825 0.94 TLR4 (0.71) TLR4LY96NR5A2NR5A1
SCHEMBL13296560 0.94 TLR4 (0.71) TLR4LY96NR5A2NR5A1
SCHEMBL6152143 0.94 TLR4 (0.80) TLR4LY96
SCHEMBL12560458 0.92 TLR4 (0.67) TLR4LY96NR5A2NR5A1
SCHEMBL13488524 0.92 TLR4 (0.87) TLR4LY96
Eritoran SCHEMBL10042160 0.89 TLR4 (1.00) TLR4LY96
Eritoran SCHEMBL12371609 0.89 TLR4 (1.00) TLR4LY96
Eritoran SCHEMBL14081112 0.89 TLR4 (1.00) TLR4LY96
Eritoran SCHEMBL21378839 0.89 TLR4 (1.00) TLR4LY96
Eritoran SCHEMBL10042165 0.89 TLR4 (1.00) TLR4LY96

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353218-B2 Kit for multifunctional compounds forming crosslinked biomaterials ANGIOTECH PHARMACEUTICALS, INC. 2016-05-31 US disclosed
US-20130289235-A1 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE ANGIOTECH PHARMACEUTICALS, INC. (CA) 2013-10-31 US disclosed
US-8481073-B2 Compositions and systems for forming crosslinked biomaterials and associated methods of preparation and use ANGIODEVICE INTERNATIONAL GMBH (CH) 2013-07-09 US disclosed
US-20130012683-A1 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE ANGIOTECH PHARMACEUTICALS (US), INC. (US) 2013-01-10 US disclosed
US-20120039980-A1 COMPOSITIONS AND SYSTEMS FOR FORMING CROSSLINKED BIOMATERIALS AND ASSOCIATED METHODS OF PREPARATION AND USE ANGIODEVICE INTERNATIONAL GMBH (CH) 2012-02-16 US disclosed
US-7994154-B2 Substituted liposaccharides useful in the treatment and prevention of endotoxemia Ersai R&D Management Co., Ltd. (JP) 2011-08-09 US disclosed
US-20100268288-A1 ELECTRICAL DEVICES AND ANTI-SCARRING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2010-10-21 US disclosed
US-20100227835-A1 SUBSTITUTED LIPOSACCHARIDES USEFUL IN THE TREATMENT AND PREVENTION OF ENDOTOXEMIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-09-09 US disclosed
US-20060282123-A1 Electrical devices and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2006-12-14 US disclosed
US-20050186244-A1 Polymer compositions and methods for their use ANGIOTECH INTERNATIONAL AG (CH) 2005-08-25 US disclosed
US-20050181009-A1 Implantable sensors and implantable pumps and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-08-18 US disclosed
US-20050175703-A1 Polymer compositions and methods for their use ANGIOTECH INTERNATIONAL AG (CH) 2005-08-11 US disclosed
US-20050175665-A1 In combination with antiscarring, antifibrotic, and antiinflammatory agents for preventing surgical adhesions, and cartilage loss; hypertrophic scars, keloids, arthritis, vascular disease; injection or topical administration ANGIOTECH INTERNATIONAL AG (CH) 2005-08-11 US disclosed
US-20050175664-A1 Implantable sensors and implantable pumps and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-08-11 US disclosed
US-20050169961-A1 Implantable sensors and implantable pumps and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-08-04 US disclosed
US-20050169960-A1 Implantable sensors and implantable pumps and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-08-04 US disclosed
US-20050158356-A1 Implantable sensors and implantable pumps and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-07-21 US disclosed
US-20050152946-A1 Implantable sensors and implantable pumps and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-07-14 US disclosed
US-20050154374-A1 Implantable sensors and implantable pumps and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-07-14 US disclosed
US-20050152941-A1 Soft tissue implants and anti-scarring agents ANGIOTECH INTERNATIONAL AG (CH) 2005-07-14 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 (8 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-20120039980-A1 COMPOSITIONS AND SYSTEMS FOR FORMING CROSSLINKED BIOMATERIALS AND ASSOCIATED METHODS OF PREPARATION AND USE ILK, FN1, COL1A1 TLR4 948/4885LY96 57/4885NR5A2 4705/4885
US-20050152946-A1 Implantable sensors and implantable pumps and anti-scarring agents MMP1, CDKN1A, MKI67 TLR4 2345/4885LY96 617/4885NR5A2 2005/4885
US-20050186244-A1 Polymer compositions and methods for their use COL2A1, COL14A1, COL1A1 TLR4 616/4885LY96 747/4885NR5A2 3542/4885
US-20100227835-A1 SUBSTITUTED LIPOSACCHARIDES USEFUL IN THE TREATMENT AND PREVENTION OF ENDOTOXEMIA LIPG, FUT6, UGCG TLR4 94/4885LY96 382/4885NR5A2 4679/4885
US-20050169961-A1 Implantable sensors and implantable pumps and anti-scarring agents MMP1, CDKN1A, MKI67 TLR4 2345/4885LY96 617/4885NR5A2 2005/4885
US-20050175665-A1 In combination with antiscarring, antifibrotic, and antiinflammatory agents for preventing surgical adhesions, and cartilage loss; hypertrophic scars, keloids, arthritis, vascular disease; injection or topical administration MMP1, COL2A1, MMP13 TLR4 1276/4885LY96 766/4885NR5A2 1697/4885
US-20050154374-A1 Implantable sensors and implantable pumps and anti-scarring agents MMP1, CDKN1A, MKI67 TLR4 2345/4885LY96 617/4885NR5A2 2005/4885
US-20050175703-A1 Polymer compositions and methods for their use COL2A1, COL14A1, COL1A1 TLR4 616/4885LY96 747/4885NR5A2 3542/4885

“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.