SCHEMBL9604192

SCHEMBL9604192

CCOC(=O)CC1(C)OCC2OCC(O)C2O1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.49
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
LMNA P02545 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL13044167 1.00 CTDSP1 (0.49) CTDSP1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL9604158 1.00 CTDSP1 (0.49) CTDSP1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL9604156 1.00 CTDSP1 (0.49) CTDSP1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL9604154 1.00 CTDSP1 (0.49) CTDSP1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL9604159 1.00 CTDSP1 (0.49) CTDSP1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL9604129 0.89 CTDSP1 (0.40) CTDSP1ALDH1A1LMNA
SCHEMBL9604121 0.89 CTDSP1 (0.40) CTDSP1ALDH1A1LMNA
SCHEMBL9604148 0.89 CTDSP1 (0.40) CTDSP1ALDH1A1LMNA
SCHEMBL9604119 0.89 CTDSP1 (0.40) CTDSP1ALDH1A1LMNA
SCHEMBL9604186 0.89 CTDSP1 (0.40) CTDSP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157560-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XL TERRA, INC. (US) 2012-06-21 US disclosed
US-20120157560-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XL TERRA, INC. (US) 2012-06-21 US disclosed
US-20120136070-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XL TERRA, INC. (US) 2012-05-31 US disclosed
US-20120136070-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XL TERRA, INC. (US) 2012-05-31 US disclosed
WO-2010138842-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XLTERRA, INC. (US) 2010-12-02 WO 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-20120136070-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF KHK, HKDC1, HK2 CTDSP1 4006/4885KMT2A 1049/4885L3MBTL1 3268/4885
US-20120157560-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF KHK, HKDC1, HK2 CTDSP1 4006/4885KMT2A 1049/4885L3MBTL1 3268/4885

“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.