SCHEMBL2889790

SCHEMBL2889790

COC(=O)CCCCN(CCc1ccc(F)cc1OCc1ccc(C2CCCCC2)cc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.41
STAT3 P40763 5/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PDE6D O43924 1/20 0.36
FFAR1 O14842 3/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
GCGR P47871 1/20 0.33
GIPR P48546 1/20 0.33
MCHR1 Q99705 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
SCHEMBL13009721 0.91 BCHE (0.38) FFAR4STAT3LMNAMAPTRAB9A
SCHEMBL4938902 0.89 FFAR4 (0.51) FFAR4STAT3PDE6DMAPT
SCHEMBL6700661 0.89 FFAR4 (0.42) FFAR4STAT3ALOX5APFEN1PDE6D
SCHEMBL2888198 0.86 FFAR4 (0.50) FFAR4FFAR1GCGR
Hydrochloric Acid SCHEMBL2882694 0.85 FFAR4 (0.49) FFAR4FFAR1GCGR
SCHEMBL13010023 0.85 FFAR4 (0.42) FFAR4LMNAMAPTRAB9AL3MBTL1
SCHEMBL13009996 0.84 BCHE (0.36) FFAR4STAT3LMNAMAPTRAB9A
SCHEMBL13009824 0.81 BCHE (0.44) FFAR4PDE6DLMNAMAPTRAB9A
SCHEMBL13378117 0.80 FFAR4 (0.50) FFAR4FFAR1
SCHEMBL2885997 0.79 FFAR4 (0.42) FFAR4ALOX5APFEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700653-B2 Halogen-substituted aminodicarboxylic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 US disclosed
US-7700653-B2 Halogen-substituted aminodicarboxylic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 US disclosed
US-7700653-B2 Halogen-substituted aminodicarboxylic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 US disclosed
US-7067694-B2 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2006-06-27 US disclosed
US-20060111444-A1 Novel halogen-substituted aminodicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-05-25 US disclosed
US-20040092593-A1 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-13 US 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-20040092593-A1 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BCAT2, DDC, AADAT FFAR4 321/4885STAT3 1026/4885ALOX5AP 2757/4885
US-20060111444-A1 Novel halogen-substituted aminodicarboxylic acid derivatives FABP3, PPARD, FABP1 FFAR4 45/4885STAT3 550/4885ALOX5AP 371/4885

“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.