SCHEMBL5545001

SCHEMBL5545001

CCCCCCCCNCC1O[C@@H](C)C(NC(=O)CCCCCCC(C)C)[C@@H](O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.41
▸ TRPV1 Q8NER1 4/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ FAAH O00519 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ PLA2G10 O15496 2/20 0.35
▸ GBA1 P04062 6/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TLR4 O00206 1/20 0.34
▸ CETP P11597 1/20 0.33

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
SCHEMBL5540231 1.00 PAX8 (0.41) PAX8TRPV1CNR1CNR2FAAH
SCHEMBL5545051 1.00 PAX8 (0.41) PAX8TRPV1CNR1CNR2FAAH
SCHEMBL5545062 0.92 TRPV1 (0.42) TRPV1CNR1CNR2GBA1MAPK1
SCHEMBL5546224 0.92 TRPV1 (0.42) TRPV1CNR1CNR2GBA1MAPK1
SCHEMBL5546473 0.87 MAPK1 (0.40) TRPV1GBA1MAPK1TLR4
SCHEMBL15176874 0.86 PAX8 (0.38) PAX8CNR2
SCHEMBL14450131 0.84 PAX8 (0.45) PAX8TRPV1CNR1CNR2FAAH
SCHEMBL5546243 0.84 PAX8 (0.41) PAX8
SCHEMBL15355994 0.82 PAX8 (0.45) PAX8EPHX2MAPK1TLR4
SCHEMBL5544835 0.82 PAX8 (0.45) PAX8EPHX2MAPK1TLR4

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 4072/4885TRPV1 2816/4885CNR1 2667/4885
US-20130288955-A1 STRUCTURAL AND MECHANISTIC BASIS FOR NOVEL COMPOUND BIOSYNTHESIS USING 4-ELECTRON HEXOSE OXIDASE G6PD, CYP4X1, UGT1A9 PAX8 4134/4885TRPV1 2482/4885CNR1 2657/4885

“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.

Send feedback