Butane

Butane

SCHEMBL4661674

CCCC.CCCC.O=C(O)CC(C(=O)O)=C1CC1.O=C(O)CC(C(=O)O)=C1CCCCC1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.46
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIK3 Q13003 1/20 0.43
GRIK5 Q16478 1/20 0.43
FFAR3 O14843 1/20 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
SCHEMBL28661006 0.90 GRIK1 (0.53) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL2166758 0.84 GRIK1 (0.41) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL6682947 0.78 GRIK1 (0.53) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL6341738 0.78 GRIK1 (0.53) GRIK1GRIA1GRIA2GRIA4GRIK3
Methacrylic Acid SCHEMBL3681488 0.77 GRIK1 (0.34) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL11237087 0.76 ALOX15 (0.37) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL17165762 0.76 GRIK1 (0.52) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL6555623 0.76 GRIK1 (0.43) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL7048447 0.75 EGLN1 (0.41) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL3151498 0.74 TSHR (0.41) GRIK1GRIA1GRIA2GRIA4GRIK3

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 GRIK1 178/4885GRIA1 609/4885GRIA2 342/4885
US-20030181743-A1 Process for preparing alkylidene substituted succinic acid esters OGDH, SCO2, SUCNR1 GRIK1 1869/4885GRIA1 2794/4885GRIA2 2240/4885
US-20050080290-A1 Process for preparing alkylidene-substituted-1, 4-dions derivatives RTN4, NR4A2, NR3C2 GRIK1 1501/4885GRIA1 245/4885GRIA2 149/4885

“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.