SCHEMBL13745642

CC(=O)N[C@H]1[C@H](OC2[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](OC4[C@@H](CO)O[C@H](O)[C@H](NC(C)=O)[C@H]4O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)O[C@@H]3CO)[C@H](NC(C)=O)[C@H]2O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)[C@H]2NC(C)=O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ESR1	P03372	2/20	0.62

▸	PGR	P06401	2/20	0.62

▸	HTR1A	P08908	1/20	0.62

▸	ADORA3	P0DMS8	1/20	0.62

▸	AR	P10275	1/20	0.62

▸	CHRM1	P11229	1/20	0.62

▸	TBXA2R	P21731	1/20	0.62

▸	PTGS1	P23219	1/20	0.62

▸	ADRA1A	P35348	1/20	0.62

▸	KCNH2	Q12809	1/20	0.62

▸	NOD2	Q9HC29	1/20	0.57

▸	MAPK1	P28482	1/20	0.44

▸	IGF2R	P11717	2/20	0.41

▸	ALDH1A1	P00352	1/20	0.40

▸	THRB	P10828	1/20	0.40

▸	LGALS3	P17931	4/20	0.38

▸	LGALS8	O00214	1/20	0.38

▸	LGALS4	P56470	1/20	0.38

▸	ANPEP	P15144	2/20	0.37

▸	CHIA	Q9BZP6	1/20	0.36

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.

Compound	similarity	top predicted	shared targets
SCHEMBL68125	1.00	ESR1 (0.62)	ESR1PGRHTR1AADORA3AR
SCHEMBL68127	0.94	ESR1 (0.55)	ESR1PGRHTR1AADORA3AR
SCHEMBL67098	0.93	ESR1 (0.60)	ESR1PGRHTR1AADORA3AR
SCHEMBL12985135	0.93	ESR1 (0.60)	ESR1PGRHTR1AADORA3AR
SCHEMBL69062	0.92	ESR1 (0.59)	ESR1PGRHTR1AADORA3AR
SCHEMBL13594753	0.90	ESR1 (0.58)	ESR1PGRHTR1AADORA3AR
SCHEMBL68827	0.89	ESR1 (0.53)	ESR1PGRHTR1AADORA3AR
SCHEMBL13594760	0.89	ESR1 (0.56)	ESR1PGRHTR1AADORA3AR
SCHEMBL13745170	0.88	ESR1 (0.55)	ESR1PGRHTR1AADORA3AR
SCHEMBL13745679	0.88	ESR1 (0.55)	ESR1PGRHTR1AADORA3AR

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20090214598-A1	Monovalent and polyvalent synthetic polysaccharide antigens for immunological intervention in disease	ELI LILLY AND COMPANY (US)	2009-08-27	—	—	US	disclosed
US-20070041986-A1	Synthetic polysaccharide antigens for immunological intervention in disease	ELI LILLY AND COMPANY	2007-02-22	—	—	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20090214598-A1	Monovalent and polyvalent synthetic polysaccharide antigens for immunological intervention in disease	CD4, TLR2, CD69	ESR1 3589/4885PGR 1493/4885HTR1A 2604/4885
US-20070041986-A1	Synthetic polysaccharide antigens for immunological intervention in disease	SPAST, SSB, HLA-DRB1	ESR1 4815/4885PGR 4490/4885HTR1A 4685/4885

“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.