SCHEMBL457584

SCHEMBL457584

CCOC(=O)CCc1ccc(C#Cc2ccc(OCC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.60
CYP4F2 P78329 1/20 0.60
CYP4A11 Q02928 1/20 0.60
FFAR1 O14842 1/20 0.51
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50

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
SCHEMBL12000868 0.88 CYP4F2 (0.64) CYP4F2CYP4A11FFAR1SLC5A1SLC5A2
SCHEMBL16254172 0.85 ACACB (0.68) ACACBSLC5A1SLC5A2
SCHEMBL456459 0.85 FFAR1 (0.67) ACACBFFAR1
SCHEMBL12401878 0.84 CYP4F2 (0.68) CYP4F2CYP4A11SLC5A1SLC5A2
SCHEMBL68902 0.82 CYP4F2 (0.85) CYP4F2CYP4A11
SCHEMBL12548347 0.82 CYP4Z1 (0.58) CYP4F2CYP4A11SLC5A1SLC5A2
SCHEMBL11969671 0.81 ACACB (0.65) ACACB
SCHEMBL16695953 0.81 CYP4F2 (0.62) CYP4F2CYP4A11FFAR1
SCHEMBL16972780 0.81 CYP4F2 (0.62) CYP4F2CYP4A11FFAR1SLC5A1SLC5A2
SCHEMBL1551072 0.80 CYP4F2 (0.66) CYP4F2CYP4A11FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614054-B1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
EP-2614054-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2013-07-17 EP disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 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 (1 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-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885CYP4F2 246/4885CYP4A11 157/4885

“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.