SCHEMBL5546473

SCHEMBL5546473

CCCCCCCCCCNCC1OC(OC)C(NC(=O)CCCCCCC(C)C)C(O)C1O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ TLR4 O00206 11/20 0.38
▸ LY96 Q9Y6Y9 6/20 0.37
▸ GJB2 P29033 1/20 0.36
▸ GBA1 P04062 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34

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
SCHEMBL5545051 0.87 PAX8 (0.41) MAPK1TLR4GBA1TRPV1
SCHEMBL5545001 0.87 PAX8 (0.41) MAPK1TLR4GBA1TRPV1
SCHEMBL5540231 0.87 PAX8 (0.41) MAPK1TLR4GBA1TRPV1
SCHEMBL5544808 0.82 GBA1 (0.35) MAPK1TLR4GBA1TRPV1
SCHEMBL15355993 0.82 GBA1 (0.35) MAPK1TLR4GBA1TRPV1
SCHEMBL9233216 0.80 MAPK1 (0.60) MAPK1TLR4LY96GJB2ALDH1A1
SCHEMBL5545062 0.79 TRPV1 (0.42) MAPK1TLR4LY96GBA1TRPV1
SCHEMBL5546224 0.79 TRPV1 (0.42) MAPK1TLR4LY96GBA1TRPV1
SCHEMBL9228946 0.78 MAPK1 (0.43) MAPK1GBA1ALDH1A1THRB
SCHEMBL9228937 0.78 MAPK1 (0.43) MAPK1GBA1ALDH1A1THRB

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-8507427-B2 Structural and mechanistic basis for novel compound biosynthesis using the 4-electron hexose oxidase ACADEMIA SINICA (TW) 2013-08-13 — — US disclosed
US-20120108498-A1 STRUCTURAL AND MECHANISTIC BASIS FOR NOVEL COMPOUND BIOSYNTHESIS USING THE 4-ELECTRON HEXOSE OXIDASE ACADEMIA SINICA (TW) 2012-05-03 — — 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-20120108498-A1 STRUCTURAL AND MECHANISTIC BASIS FOR NOVEL COMPOUND BIOSYNTHESIS USING THE 4-ELECTRON HEXOSE OXIDASE G6PD, DHRS9, CYP2C9 MAPK1 1380/4885TLR4 810/4885LY96 4190/4885

“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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