SCHEMBL13745924

SCHEMBL13745924

COCCCC[C@H](NC(=O)CCCNC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H](OP(=O)(O)P(=O)(O)OC)[C@@H]1NC(C)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.49
▸ PGR P06401 2/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ AR P10275 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ TBXA2R P21731 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ NOD2 Q9HC29 1/20 0.40
▸ IGF2R P11717 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ LGALS3 P17931 3/20 0.35
▸ LGALS8 O00214 1/20 0.35
▸ LGALS4 P56470 1/20 0.35
▸ TLR4 O00206 4/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MDK P21741 1/20 0.33

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
SCHEMBL13745082 0.95 ESR1 (0.51) ESR1PGRHTR1AADORA3AR
SCHEMBL13745076 0.93 ESR1 (0.48) ESR1PGRHTR1AADORA3AR
SCHEMBL13745077 0.88 ESR1 (0.45) ESR1PGRHTR1AADORA3AR
SCHEMBL13594761 0.84 ESR1 (0.54) ESR1PGRHTR1AADORA3AR
SCHEMBL13745065 0.84 ESR1 (0.54) ESR1PGRHTR1AADORA3AR
SCHEMBL67098 0.83 ESR1 (0.60) ESR1PGRHTR1AADORA3AR
SCHEMBL12985135 0.83 ESR1 (0.60) ESR1PGRHTR1AADORA3AR
SCHEMBL68824 0.83 ESR1 (0.46) ESR1PGRHTR1AADORA3AR
SCHEMBL13594759 0.83 ESR1 (0.46) ESR1PGRHTR1AADORA3AR
SCHEMBL13745889 0.81 NOD2 (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214598-A1 Monovalent and polyvalent synthetic polysaccharide antigens for immunological intervention in disease ELI LILLY AND COMPANY (US) 2009-08-27 — — 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 (1 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-20090214598-A1 Monovalent and polyvalent synthetic polysaccharide antigens for immunological intervention in disease CD4, TLR2, CD69 ESR1 3589/4885PGR 1493/4885HTR1A 2604/4885

“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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