SCHEMBL4661806

SCHEMBL4661806

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 7/20 0.42
ALOX15 P16050 3/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRPA1 O75762 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM1 P11229 1/20 0.41
ADORA1 P30542 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
SOAT1 P35610 1/20 0.34

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
SCHEMBL17053359 0.90 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL430204 0.87 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL460011 0.85 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL19105364 0.82 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11550163 0.82 ALDH1A1 (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14405042 0.82 L3MBTL1 (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1194353 0.80 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11565070 0.79 ALOX15 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4529653 0.79 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9077890 0.79 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1

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-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-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-7399879-B2 Process for preparing alkylidene-substituted-1,4-dions derivatives BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2008-07-15 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-1527040-A1 PROCESS FOR PREPARING ALKYLIDENE-SUBSTITUTED-1,4-DIONS DERIVATIVES Basel Poliolefine Italia SpA (IT) 2005-05-04 EP 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
US-20050080290-A1 Process for preparing alkylidene-substituted-1, 4-dions derivatives BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2005-04-14 US 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

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-20050113599-A1 Process for preparing alkylidene-substituted -1, 4-dions derivatives KCNJ4, NR3C2, NR4A2 MGAM 3919/4885GAA 4586/4885SI 3511/4885
US-20050080290-A1 Process for preparing alkylidene-substituted-1, 4-dions derivatives RTN4, NR4A2, NR3C2 MGAM 4851/4885GAA 4844/4885SI 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.