SCHEMBL4604947

SCHEMBL4604947

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
SLC15A2 Q16348 1/20 0.42
ALDH1A1 P00352 2/20 0.38
FOLH1 Q04609 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32

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
SCHEMBL13365248 0.83 TDP1 (0.58) TDP1LMNASLC15A2ALDH1A1SLC22A6
SCHEMBL17637931 0.76 TDP1 (0.64) TDP1LMNASLC15A2ALDH1A1FOLH1
SCHEMBL10523402 0.75 TDP1 (0.44) TDP1LMNASLC15A2FOLH1GABRP
SCHEMBL13332621 0.75 TDP1 (0.48) TDP1SLC22A6GPR84SMN1; SMN2ALOX15
SCHEMBL2343722 0.73 LMNA (0.46) TDP1LMNASLC15A2ALDH1A1FOLH1
SCHEMBL1237039 0.72 GABRP (0.45) TDP1LMNASLC15A2ALDH1A1FOLH1
SCHEMBL25682825 0.72 TDP1 (0.50) TDP1LMNAALDH1A1SLC22A6SMN1; SMN2
SCHEMBL15305176 0.71 FOLH1 (0.71) TDP1LMNASLC15A2FOLH1
SCHEMBL12993346 0.71 FOLH1 (0.71) TDP1LMNASLC15A2FOLH1
SCHEMBL3698857 0.71 FOLH1 (0.71) TDP1LMNASLC15A2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947082-A2 Oximes or imines of 4-pentulosonic acid methyl esters as intermediates for the preparation of pyrrolidines MICHIGAN STATE UNIVERSITY (US) 2008-07-23 EP disclosed
EP-1947084-A2 2-Pyrrolidones as intermediates for the preparation of pyrrolidines MICHIGAN STATE UNIVERSITY (US) 2008-07-23 EP disclosed
EP-1305284-A4 PROCESS AND INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF PYRROLIDINES UNIV MICHIGAN STATE (US) 2005-08-03 EP disclosed
US-6583297-B2 From tri-O-acetyl-D-erythro-4-pentulosonic acid esters BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2003-06-24 US disclosed
EP-1305284-A1 PROCESS AND INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF PYRROLIDINES MICHIGAN STATE UNIVERSITY (US) 2003-05-02 EP disclosed
US-6518437-B1 2,3,5-Tri-O-acetyl-1,4-Dideoxy-1,4-imino-D-ribitol. for chemical intermediates BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2003-02-11 US disclosed
US-6492534-B2 CHEMICAL INTERMEDIATE FOR BIOSYNTHESIS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2002-12-10 US disclosed
US-6482974-B2 FROM TRI-O-ACETYL-D-ERYTHRO-4-PENTULOSONIC ACID ESTERS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2002-11-19 US disclosed
US-6482973-B2 FROM TRI-O-ACETYL-D-ERYTHRO-4-PENTULOSONIC ACID ESTERS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2002-11-19 US disclosed
US-6423867-B1 FROM TRI-O-ACETYL-D-ERYTHRO-4-PENTULOSONIC ACID ESTERS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2002-07-23 US disclosed
US-6414163-B1 PREPARING 1,4-DIDEOXY-1,4-IMINOPENTITOL BY REDUCTIVE CYCLIZATION OF SPECIFIED OXIME OR IMINE WITH REDUCING AGENT WHICH IS SOURCE OF SINGLET HYDROGEN OR HYDRIDE VIA INTERMEDIATE PYRROLIDONE LACTAM BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2002-07-02 US disclosed
US-20020026071-A1 Process and intermediate compounds for the preparation of pyrrolidines BOARD OF TRUSTEES, OPERATING MICHIGAN STATE UNIVERSITY 2002-02-28 US disclosed
US-20020026073-A1 Process and intermediate compounds for the preparation of pyrrolidines BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2002-02-28 US disclosed
US-20020026072-A1 Process and intermediate compounds for the preparation of pyrrolidines BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 2002-02-28 US disclosed
US-20020026074-A1 Process and intermediate compounds for the preparation of pyrrolidines BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERS 2002-02-28 US disclosed
US-20020019542-A1 Process and intermediate compounds for the preparation of pyrrolidines MICHIGAN STATE UNIVERSITY BOARD OF TRUSTEES OPERATING 2002-02-14 US disclosed
US-20020019561-A1 Process and intermediate compounds for the preparation of pyrrolidines BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2002-02-14 US disclosed
WO-2002010130-A1 PROCESS AND INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF PYRROLIDINES MICHIGAN STATE UNIVERSITY (US) 2002-02-07 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 (6 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-20020026073-A1 Process and intermediate compounds for the preparation of pyrrolidines UMPS, DUT, DPYD TDP1 818/4885LMNA 2986/4885SLC15A2 4263/4885
US-20020026071-A1 Process and intermediate compounds for the preparation of pyrrolidines UMPS, DUT, DPYD TDP1 818/4885LMNA 2986/4885SLC15A2 4263/4885
US-20020019542-A1 Process and intermediate compounds for the preparation of pyrrolidines UMPS, DUT, DPYD TDP1 818/4885LMNA 2986/4885SLC15A2 4263/4885
US-20020026074-A1 Process and intermediate compounds for the preparation of pyrrolidines UMPS, DUT, DPYD TDP1 818/4885LMNA 2986/4885SLC15A2 4263/4885
US-20020026072-A1 Process and intermediate compounds for the preparation of pyrrolidines UMPS, DUT, DPYD TDP1 818/4885LMNA 2986/4885SLC15A2 4263/4885
US-20020019561-A1 Process and intermediate compounds for the preparation of pyrrolidines UMPS, DUT, DPYD TDP1 818/4885LMNA 2986/4885SLC15A2 4263/4885

“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.