SCHEMBL17368055

SCHEMBL17368055

CCCCCCCCCCC(O)CN(CCCC[C@H](N)C(=O)O)CC(O)CCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 2/20 0.50
▸ GRIK2 Q13002 2/20 0.50
▸ SLC1A2 P43004 1/20 0.47
▸ SLC1A1 P43005 1/20 0.47
▸ GPR84 Q9NQS5 7/20 0.47
▸ NOD1 Q9Y239 3/20 0.46
▸ FFAR1 O14842 2/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ PLA2G1B P04054 1/20 0.44
▸ PLA2G2A P14555 1/20 0.44
▸ GSR P00390 1/20 0.43

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
SCHEMBL26493009 0.89 GRIK1 (0.57) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL17302563 0.86 GPR84 (0.66) GRIK1GRIK2GPR84FFAR1FFAR4
SCHEMBL17294505 0.86 GPR84 (0.66) GRIK1GRIK2GPR84FFAR1FFAR4
SCHEMBL17368067 0.86 L3MBTL1 (0.47) GRIK1GRIK2GPR84NOD1FFAR1
SCHEMBL17368080 0.86 L3MBTL1 (0.47) GRIK1GRIK2GPR84NOD1FFAR1
SCHEMBL17368070 0.86 L3MBTL1 (0.47) GRIK1GRIK2GPR84NOD1FFAR1
SCHEMBL3524848 0.85 FFAR1 (0.61) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL17199810 0.85 GPR84 (0.47) GPR84FFAR1FFAR4PLA2G1BPLA2G2A
SCHEMBL29138696 0.83 FFAR4 (0.70) GPR84FFAR1FFAR4
SCHEMBL7854619 0.83 FFAR4 (0.70) GPR84FFAR1FFAR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659003-B Berberine derivative and preparation method and application thereof 西南大学 2024-11-26 — — CN disclosed
CN-117659003-A Berberine derivative and preparation method and application thereof 西南大学 2024-03-08 — — CN disclosed
US-20150376144-A1 STEREOCHEMICALLY ENRICHED COMPOSITIONS FOR DELIVERY OF NUCLEIC ACIDS TRANSLATE BIO, INC. 2015-12-31 — — 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-20150376144-A1 STEREOCHEMICALLY ENRICHED COMPOSITIONS FOR DELIVERY OF NUCLEIC ACIDS POLB, SNRPB2, HNRNPA2B1 GRIK1 3787/4885GRIK2 3950/4885SLC1A2 1207/4885

“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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