SCHEMBL4438455

SCHEMBL4438455

CCCCC(C)OS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.38
FAAH O00519 5/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FDPS P14324 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
DNM1 Q05193 1/20 0.32
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL905471 1.00 ALDH1A1 (0.44) ALDH1A1TP53FAAHCNR1CNR2
SCHEMBL10838919 0.93 TP53 (0.45) ALDH1A1TP53FAAHCNR1CNR2
SCHEMBL8632043 0.91 TP53 (0.44) ALDH1A1TP53FAAHCNR1CNR2
SCHEMBL8843258 0.91 TP53 (0.44) ALDH1A1TP53FAAHCNR1CNR2
SCHEMBL1033067 0.91 TP53 (0.44) ALDH1A1TP53FAAHCNR1CNR2
SCHEMBL14185392 0.91 TP53 (0.44) ALDH1A1TP53FAAHCNR1CNR2
SCHEMBL8843220 0.91 TP53 (0.44) ALDH1A1TP53FAAHCNR1CNR2
SCHEMBL8843279 0.91 TP53 (0.44) ALDH1A1TP53FAAHCNR1CNR2
SCHEMBL22263512 0.91 TP53 (0.44) ALDH1A1TP53FAAHCNR1CNR2
SCHEMBL8844066 0.91 TP53 (0.44) ALDH1A1TP53FAAHCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7534908-B2 Method for the production of optically active 3-alkylcarboxylic acids and the intermediate products thereof WACKER CHEMIE AG (DE) 2009-05-19 US disclosed
US-20070225519-A1 Method for the Production of Optically Active 3-Alkyl Carboxylic Acids and the Intermediate Products Thereof CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2007-09-27 US disclosed
CN-1950508-A Process for producing optically active alcohol and carboxylic acid API CORP (JP) 2007-04-18 CN disclosed
EP-1748975-A1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE 3-ALKYL CARBOXYLIC ACIDS AND THE INTERMEDIATE PRODUCTS THEREOF Consortium für elektrochemische Industrie GmbH (DE) 2007-02-07 EP disclosed
US-20060041015-A1 Use of treosulfan and derivaties thereof for treating multiple sclerosis MEDAC GESELLSCHAFT FUR KLINISCHE SPEZIALPRAPARATE MBH (DE) 2006-02-23 US disclosed
WO-2005115955-A1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE 3-ALKYL CARBOXYLIC ACIDS AND THE INTERMEDIATE PRODUCTS THEREOF Consortium für elektrochemische Industrie GmbH (DE) 2005-12-08 WO disclosed
EP-1528922-A1 USE OF TREOSULFAN AND DERIVATIVES THEREOF FOR TREATING MULTIPLE SCLEROSIS Medac Gesellschaft für klinische Spezialpräparate mbH (DE) 2005-05-11 EP disclosed
WO-2004016263-A1 USE OF TREOSULFAN AND DERIVATIVES THEREOF FOR TREATING MULTIPLE SCLEROSIS Medac Gesellschaft für klinische Spezialpräparate mbH (DE) 2004-02-26 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-20070225519-A1 Method for the Production of Optically Active 3-Alkyl Carboxylic Acids and the Intermediate Products Thereof ME1, ME3, ACMSD ALDH1A1 128/4885TP53 4342/4885FAAH 95/4885
US-20060041015-A1 Use of treosulfan and derivaties thereof for treating multiple sclerosis TST, TXNRD3, TXN ALDH1A1 450/4885TP53 4730/4885FAAH 2843/4885

“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.