SCHEMBL456459

SCHEMBL456459

CCOc1ccc(C#Cc2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.67
FFAR4 Q5NUL3 4/20 0.66
LMNA P02545 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ACACB O00763 3/20 0.63
CHRM2 P08172 1/20 0.57
S1PR1 P21453 1/20 0.57
FPR1 P21462 1/20 0.57
FPR3 P25089 1/20 0.57
GPR183 P32249 1/20 0.57
APLNR P35414 1/20 0.57
GPR65 Q8IYL9 1/20 0.57

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
SCHEMBL1205605 0.92 LMNA (0.75) FFAR1FFAR4LMNAL3MBTL1
SCHEMBL16254172 0.88 ACACB (0.68) ACACB
SCHEMBL469923 0.87 FFAR1 (0.69) FFAR1FFAR4LMNAL3MBTL1
SCHEMBL457584 0.85 ACACB (0.60) FFAR1ACACB
SCHEMBL11969487 0.84 FFAR1 (0.64) FFAR1ACACB
SCHEMBL11969671 0.84 ACACB (0.65) ACACB
SCHEMBL28222556 0.82 LMNA (0.61) FFAR1FFAR4LMNAL3MBTL1
SCHEMBL13498531 0.81 FFAR1 (0.60) FFAR1FFAR4LMNAL3MBTL1S1PR1
SCHEMBL12087474 0.80 FFAR1 (1.00) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL8753212 0.80 ACACB (0.60) ACACB

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 9 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
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 FFAR1 4197/4885FFAR4 3442/4885LMNA 2031/4885

“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.