SCHEMBL5540221

SCHEMBL5540221

CC(C)CCCCCCC(=O)NC1[C@H](C)OC(C(=O)O)[C@@H](O)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.45
▸ KDM4C Q9H3R0 2/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ PHF8 Q9UPP1 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ DEGS1 O15121 1/20 0.33
▸ NEU1 Q99519 2/20 0.32
▸ NEU2 Q9Y3R4 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL5546177 0.86 TRPV1 (0.46) AKT1NEU1NEU2CNR1CNR2
SCHEMBL5546611 0.86 TRPV1 (0.46) AKT1NEU1NEU2CNR1CNR2
SCHEMBL5540100 0.84 AKT1 (0.39) PAX8KDM4CKDM4APHF8KDM2A
SCHEMBL5546192 0.84 TRPV1 (0.43) AKT1NEU1NEU2CNR1CNR2
SCHEMBL5546564 0.83 PAX8 (0.43) PAX8MEN1CYP2C19KMT2AEPHX2
SCHEMBL5546251 0.83 PAX8 (0.43) PAX8MEN1CYP1A2POLBCYP3A4
SCHEMBL5545009 0.83 PAX8 (0.43) PAX8MEN1POLBCYP3A4BLM
SCHEMBL15355994 0.82 PAX8 (0.45) PAX8CYP2D6CYP2C19EPHX2
SCHEMBL5544835 0.82 PAX8 (0.45) PAX8CYP2D6CYP2C19EPHX2
SCHEMBL14450131 0.82 PAX8 (0.45) PAX8KDM4CKDM4APHF8KDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951961-B2 Structural and mechanistic basis for novel compound biosynthesis using 4-electron hexose oxidase ACADEMIA SINICA (TW) 2015-02-10 — — US disclosed
US-20130288955-A1 STRUCTURAL AND MECHANISTIC BASIS FOR NOVEL COMPOUND BIOSYNTHESIS USING 4-ELECTRON HEXOSE OXIDASE ACADEMIA SINICA (TW) 2013-10-31 — — US disclosed
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 (2 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 PAX8 4072/4885KDM4C 1190/4885KDM4A 1511/4885
US-20130288955-A1 STRUCTURAL AND MECHANISTIC BASIS FOR NOVEL COMPOUND BIOSYNTHESIS USING 4-ELECTRON HEXOSE OXIDASE G6PD, CYP4X1, UGT1A9 PAX8 4134/4885KDM4C 1244/4885KDM4A 1535/4885

“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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