SCHEMBL21652358

SCHEMBL21652358

CC(=O)NC1C(OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)NC(=O)CCOCCOCCOCCOCCOCCC(=O)O)OC(CO)C(O)C1O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.52
▸ MDK P21741 3/20 0.45
▸ LGALS3 P17931 3/20 0.44
▸ LGALS8 O00214 1/20 0.44
▸ LGALS4 P56470 1/20 0.44
▸ B4GALT1 P15291 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CD69 Q07108 1/20 0.35

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
SCHEMBL18735986 0.96 MAPK1 (0.55) MAPK1MDKLGALS3LGALS8LGALS4
SCHEMBL23602962 0.96 MAPK1 (0.55) MAPK1MDKLGALS3LGALS8LGALS4
SCHEMBL15592393 0.96 MAPK1 (0.55) MAPK1MDKLGALS3LGALS8LGALS4
SCHEMBL20968783 0.96 MAPK1 (0.55) MAPK1MDKLGALS3LGALS8LGALS4
SCHEMBL26952005 0.94 MAPK1 (0.55) MAPK1MDKLGALS3LGALS8LGALS4
SCHEMBL26952022 0.94 MAPK1 (0.55) MAPK1MDKLGALS3LGALS8LGALS4
SCHEMBL26952018 0.94 MAPK1 (0.55) MAPK1MDKLGALS3LGALS8LGALS4
SCHEMBL26951999 0.94 MAPK1 (0.55) MAPK1MDKLGALS3LGALS8LGALS4
SCHEMBL26956358 0.94 MAPK1 (0.56) MAPK1MDKLGALS3LGALS8LGALS4
SCHEMBL26250410 0.93 MAPK1 (0.51) MAPK1MDKLGALS3LGALS8LGALS4

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-20200031862-A1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS DICERNA PHARMACEUTICALS, INC. 2020-01-30 — — 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-20200031862-A1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS ADAR, NCL, SSU72 MAPK1 4492/4885MDK 1399/4885LGALS3 1870/4885

“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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