SCHEMBL5546221

SCHEMBL5546221

CC(C)CCCCCCC(=O)NC1[C@H](C)OC(C(=O)NCc2ccccc2)[C@@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PRKACA P17612 1/20 0.42
▸ EPHX2 P34913 4/20 0.41
▸ POLB P06746 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NAAA Q02083 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ AHCY P23526 1/20 0.39

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
SCHEMBL5545009 0.86 PAX8 (0.43) PAX8MEN1KMT2APOLBCYP3A4
SCHEMBL5540382 0.83 PAX8 (0.42) PAX8MEN1KMT2AEPHX2POLB
SCHEMBL5540221 0.81 PAX8 (0.45) PAX8MEN1KMT2AEPHX2POLB
SCHEMBL5546564 0.81 PAX8 (0.43) PAX8MEN1KMT2APRKACAEPHX2
SCHEMBL5546251 0.81 PAX8 (0.43) PAX8MEN1KMT2AEPHX2POLB
SCHEMBL5544908 0.80 PAX8 (0.42) PAX8PRKACAEPHX2CNR1CNR2
SCHEMBL27346114 0.75 MEN1 (0.76) MEN1KMT2AEPHX2POLBCYP1A2
Hydrochloric Acid SCHEMBL28712259 0.74 MEN1 (0.73) MEN1KMT2AEPHX2POLBCYP1A2
Hydrochloric Acid SCHEMBL26667074 0.74 MEN1 (0.73) MEN1KMT2AEPHX2POLBCYP1A2
SCHEMBL15355994 0.72 PAX8 (0.45) PAX8EPHX2CYP2D6CYP2C19LMNA

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 4072/4885MEN1 4585/4885KMT2A 3428/4885
US-20130288955-A1 STRUCTURAL AND MECHANISTIC BASIS FOR NOVEL COMPOUND BIOSYNTHESIS USING 4-ELECTRON HEXOSE OXIDASE G6PD, CYP4X1, UGT1A9 PAX8 4134/4885MEN1 4633/4885KMT2A 3437/4885

“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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