Xylitol

Xylitol

SCHEMBL3070130

O=C1CCCCCO1.OC[C@@H](O)[C@H](O)[C@@H](O)CO

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA9 Q16790 1/20 0.57
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
PDE4A P27815 1/20 0.31

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
Adonitol SCHEMBL28232574 1.00 CA1 (0.57) CA1CA9LMNAALDH1A1TP53
Mannitol SCHEMBL28217079 0.96 CA1 (0.57) CA1CA9LMNAALDH1A1TP53
E968 SCHEMBL3028252 0.93 CA1 (0.61) CA1CA9LMNAALDH1A1TP53
E968 SCHEMBL3028249 0.93 CA1 (0.61) CA1CA9LMNAALDH1A1TP53
Gluconic Acid SCHEMBL27667050 0.86 PDE4A (0.54) CA1CA9LMNATSHRL3MBTL1
Demannose SCHEMBL27667049 0.86 CA1 (0.46) CA1CA9LMNAL3MBTL1TDP1
Gluconic Acid SCHEMBL2802087 0.86 PDE4A (0.54) CA1CA9LMNATSHRL3MBTL1
Glycerin SCHEMBL25397611 0.85 CA1 (0.61) CA1CA9LMNAALDH1A1TP53
Propylene Glycol SCHEMBL28283981 0.84 CA1 (0.59) CA1CA9LMNAALDH1A1TP53
Propylene Glycol SCHEMBL27838292 0.84 CA1 (0.59) CA1CA9LMNAALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186422-B2 Radio-opaque compounds, compositions containing same and methods of their synthesis and use PATHAK HOLDINGS LLC (US) 2015-11-17 US disclosed
US-20120308481-A1 RADIO-OPAQUE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND METHODS OF THEIR SYNTHESIS AND USE PATHAK HOLDINGS LLC (US) 2012-12-06 US disclosed
US-8273327-B2 Radio-opaque compounds, compositions containing same and methods of their synthesis and use PATHAK HOLDINGS, LLC (US) 2012-09-25 US disclosed
US-20100290995-A1 RADIO-OPAQUE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND METHODS OF THEIR SYNTHESIS AND USE PATHAK HOLDINGS LLC 2010-11-18 US disclosed
US-7790141-B2 Radio-opaque compounds, compositions containing same and methods of their synthesis and use PATHAK HOLDINGS, LLC (US) 2010-09-07 US disclosed
US-20050036946-A1 Radio-opaque compounds, compositions containing same and methods of their synthesis and use PATHAK HOLDINGS, LLC 2005-02-17 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 (3 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-20120308481-A1 RADIO-OPAQUE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND METHODS OF THEIR SYNTHESIS AND USE PLOD3, IK, SON CA1 2512/4885CA9 2698/4885LMNA 719/4885
US-20100290995-A1 RADIO-OPAQUE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND METHODS OF THEIR SYNTHESIS AND USE PLOD3, IK, SON CA1 2512/4885CA9 2698/4885LMNA 719/4885
US-20050036946-A1 Radio-opaque compounds, compositions containing same and methods of their synthesis and use PLOD3, IK, SON CA1 2512/4885CA9 2698/4885LMNA 719/4885

“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.