SCHEMBL6700856

SCHEMBL6700856

O=C(O)CCCCN(CCc1cc(-c2ccc(F)cc2F)ccc1OCc1ccc(C2CCCCC2)cc1)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 14/20 0.51
FEN1 P39748 3/20 0.43
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
ALOX5AP P20292 1/20 0.37
GCGR P47871 1/20 0.36

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
SCHEMBL13378117 0.93 FFAR4 (0.50) FFAR4
SCHEMBL2888198 0.88 FFAR4 (0.50) FFAR4S1PR1S1PR3S1PR5GCGR
SCHEMBL6700661 0.88 FFAR4 (0.42) FFAR4FEN1S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL2882694 0.88 FFAR4 (0.49) FFAR4S1PR1S1PR3S1PR5GCGR
SCHEMBL6701875 0.85 PPARD (0.45) FFAR4FEN1S1PR3S1PR5
SCHEMBL13378123 0.85 MRGPRX4 (0.46) FFAR4
SCHEMBL13009866 0.85 FEN1 (0.49) FFAR4FEN1
SCHEMBL13009739 0.85 PTGER1 (0.48) FFAR4
SCHEMBL4650113 0.82 FFAR4 (0.62) FFAR4
SCHEMBL2995595 0.80 FFAR4 (0.50) FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176446-A1 Substituted amino dicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2004-09-09 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 (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-20040176446-A1 Substituted amino dicarboxylic acid derivatives BCAT2, BCAT1, AADAT FFAR4 749/4885FEN1 3524/4885S1PR1 4456/4885

“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.