SCHEMBL4661591

SCHEMBL4661591

CCOC(=O)CC(=CC(C)C)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 3/20 0.38
TRPA1 O75762 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
GLO1 Q04760 1/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHODH Q02127 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 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
SCHEMBL7046565 0.85 SMN1; SMN2 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10423902 0.85 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2637984 0.82 NR1H4 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2637977 0.82 NR1H4 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11031995 0.80 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5608028 0.80 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5963310 0.79 ALDH1A1 (0.43) GAAALDH1A1TRPA1NPSR1GLO1
SCHEMBL28448521 0.79 NPSR1 (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5963307 0.79 ALDH1A1 (0.43) GAAALDH1A1TRPA1NPSR1GLO1
SCHEMBL4661706 0.79 GAA (0.47) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392638-B1 PROCESS FOR PREPARING ALKYLIDENE SUBSTITUTED SUCCINIC ACID ESTERS BASELL POLIOLEFINE ITALIA SRL (IT) 2016-12-14 EP disclosed
EP-1527039-B1 PROCESS FOR PREPARING ALKYLIDENE-SUBSTITUTED-1,4-DIONS DERIVATIVES BASELL POLIOLEFINE SRL (IT) 2008-12-24 EP disclosed
US-7465821-B2 Process for preparing alkylidene-substituted-1, 4-dions derivatives BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2008-12-16 US disclosed
US-7399879-B2 Process for preparing alkylidene-substituted-1,4-dions derivatives BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2008-07-15 US disclosed
US-6914153-B2 Process for preparing alkylidene substituted succinic acid esters BASSELL POLIOLEFINE ITALIA S.P.A. (IT) 2005-07-05 US disclosed
US-20050113599-A1 Process for preparing alkylidene-substituted -1, 4-dions derivatives BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2005-05-26 US disclosed
EP-1527039-A1 PROCESS FOR PREPARING ALKYLIDENE-SUBSTITUTED-1,4-DIONS DERIVATIVES Basell Poliolefine Italia S.P.A. (IT) 2005-05-04 EP disclosed
EP-1527040-A1 PROCESS FOR PREPARING ALKYLIDENE-SUBSTITUTED-1,4-DIONS DERIVATIVES Basel Poliolefine Italia SpA (IT) 2005-05-04 EP disclosed
US-20050080290-A1 Process for preparing alkylidene-substituted-1, 4-dions derivatives BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2005-04-14 US disclosed
EP-1392638-A1 PROCESS FOR PREPARING ALKYLIDENE SUBSTITUTED SUCCINIC ACID ESTERS Basell Poliolefine Italia S.p.A. (IT) 2004-03-03 EP disclosed
WO-2004014838-A1 PROCESS FOR PREPARING ALKYLIDENE-SUBSTITUTED-1,4-DIONS DERIVATIVES BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-02-19 WO disclosed
WO-2004014839-A1 PROCESS FOR PREPARING ALKYLIDENE-SUBSTITUTED-1,4-DIONS DERIVATIVES BASEL POLIOLEFINE ITALIA S.P.A. (IT) 2004-02-19 WO disclosed
US-20030181743-A1 Process for preparing alkylidene substituted succinic acid esters BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-09-25 US disclosed
WO-2002098837-A1 PROCESS FOR PREPARING ALKYLIDENE SUBSTITUTED SUCCINIC ACID ESTERS BASELL POLIOLEFINE ITALIA S.P.A (IT) 2002-12-12 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 (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-20050113599-A1 Process for preparing alkylidene-substituted -1, 4-dions derivatives KCNJ4, NR3C2, NR4A2 GAA 4586/4885MGAM 3919/4885SI 3511/4885
US-20030181743-A1 Process for preparing alkylidene substituted succinic acid esters OGDH, SCO2, SUCNR1 GAA 3356/4885MGAM 776/4885SI 32/4885
US-20050080290-A1 Process for preparing alkylidene-substituted-1, 4-dions derivatives RTN4, NR4A2, NR3C2 GAA 4844/4885MGAM 4851/4885SI 4384/4885

“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.