SCHEMBL6229260

SCHEMBL6229260

CCC(CC)OS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
USP2 O75604 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 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
SCHEMBL4662102 0.89 ALDH1A1 (0.43) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL25203219 0.85 ALDH1A1 (0.40) ALDH1A1
SCHEMBL13636610 0.85 ALDH1A1 (0.40) ALDH1A1
SCHEMBL15125809 0.85 ALDH1A1 (0.40) ALDH1A1
SCHEMBL6496032 0.83 USP2 (0.39) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL576285 0.83 ALDH1A1 (0.39) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL7481663 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL25763314 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL14779809 0.81 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL27627837 0.79 ALDH1A1 (0.36) ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606030-B1 PROCESS FOR THE PREPARATION OF TAPENTADOL INDOCO REMEDIES LTD (IN) 2016-05-18 EP claimed
US-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed
CN-1194960-C Method for preparing 4,5-diamino shikimic acid derivative HOFFMANN LA ROCHE (CH) 2005-03-30 CN disclosed
EP-1146036-B1 Tamiflu, Gallocarboxylic acid approach HOFFMANN LA ROCHE (CH) 2005-03-23 EP disclosed
US-6518048-B2 Hydrogenation a isophthalic acid derivative HOFFMANN-LA ROCHE INC. 2003-02-11 US disclosed
US-20010036653-A1 Stereo-specific synthesis of shimikic acid derivatives with improved efficiency F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 US disclosed
EP-1146036-A2 Tamiflu, Gallocarboxylic acid approach F. HOFFMANN-LA ROCHE AG (CH) 2001-10-17 EP disclosed
CN-1317481-A Method for preparing 4,5-diamino shikimic acid derivative HOFFMANN LA ROCHE (CH) 2001-10-17 CN 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 (1 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-20010036653-A1 Stereo-specific synthesis of shimikic acid derivatives with improved efficiency DDC, ACE, NEU1 ALDH1A1 299/4885USP2 2953/4885TSHR 3324/4885

“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.