SCHEMBL23322820

SCHEMBL23322820

CC(=O)NC1C(OCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2NC(C)=O)(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2NC(C)=O)C(C)(C)C)OC(CO)C(O)C1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.51
▸ LGALS3 P17931 3/20 0.46
▸ MDK P21741 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ LGALS8 O00214 1/20 0.42
▸ LGALS4 P56470 1/20 0.42
▸ B4GALT1 P15291 1/20 0.41
▸ CD69 Q07108 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL26079116 0.97 MAPK1 (0.52) MAPK1LGALS3MDKMEN1KMT2A
SCHEMBL10229987 0.94 MAPK1 (0.53) MAPK1LGALS3MDKMEN1KMT2A
SCHEMBL21189935 0.94 MAPK1 (0.53) MAPK1LGALS3MDKMEN1KMT2A
SCHEMBL26187782 0.93 MAPK1 (0.53) MAPK1LGALS3MDKMEN1KMT2A
SCHEMBL16359449 0.90 MAPK1 (0.52) MAPK1LGALS3MDKMEN1KMT2A
SCHEMBL26953373 0.89 MAPK1 (0.49) MAPK1LGALS3MDKMEN1KMT2A
SCHEMBL16358004 0.89 MAPK1 (0.51) MAPK1LGALS3MDKMEN1KMT2A
SCHEMBL25485030 0.89 MAPK1 (0.59) MAPK1LGALS3MDKMEN1KMT2A
SCHEMBL25484454 0.89 MAPK1 (0.59) MAPK1LGALS3MDKMEN1KMT2A
SCHEMBL23031625 0.88 MAPK1 (0.50) MAPK1LGALS3MDKMEN1KMT2A

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-20210130415-A1 CHEMICALLY-MODIFIED ADENO-ASSOCIATED VIRUS Université de Nantes (FR) 2021-05-06 — — 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-20210130415-A1 CHEMICALLY-MODIFIED ADENO-ASSOCIATED VIRUS ALDH1A1, ALDH1A2, GAPDH MAPK1 4592/4885LGALS3 321/4885MDK 3895/4885

“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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