SCHEMBL16920715

SCHEMBL16920715

CC(=O)N[C@H]1[C@H](OCCOCCOCCOCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)COCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)COCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(N)=O)O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ AR P10275 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ANPEP P15144 2/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ IGF2R P11717 1/20 0.41
▸ LGALS3 P17931 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ LGALS8 O00214 1/20 0.40
▸ LGALS4 P56470 1/20 0.40

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
SCHEMBL21226828 0.97 MAPK1 (0.49) ESR1PGRHTR1AADORA3AR
SCHEMBL22639113 0.95 MAPK1 (0.48) ESR1PGRHTR1AADORA3AR
SCHEMBL17519161 0.95 MAPK1 (0.48) ESR1PGRHTR1AADORA3AR
SCHEMBL18610577 0.95 MAPK1 (0.48) ESR1PGRHTR1AADORA3AR
SCHEMBL17974033 0.95 MAPK1 (0.48) ESR1PGRHTR1AADORA3AR
SCHEMBL23031881 0.95 MAPK1 (0.48) ESR1PGRHTR1AADORA3AR
SCHEMBL21086224 0.94 MAPK1 (0.48) ESR1PGRHTR1AADORA3AR
SCHEMBL21207336 0.94 MAPK1 (0.48) ESR1PGRHTR1AADORA3AR
SCHEMBL18568417 0.94 MAPK1 (0.48) ESR1PGRHTR1AADORA3AR
SCHEMBL23730428 0.94 MAPK1 (0.48) 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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345775-B2 Compositions for targeted delivery of siRNA Arrowhead Madison Inc. (US) 2016-05-24 — — US disclosed
US-20150202298-A1 Compositions for Targeted Delivery of siRNA Arrowhead Pharmaceuticals, Inc. 2015-07-23 — — 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-20150202298-A1 Compositions for Targeted Delivery of siRNA PHAX, RNASE1, SNRPE ESR1 4683/4885PGR 1738/4885HTR1A 4810/4885

“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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