SCHEMBL5598565

SCHEMBL5598565

CCCCCCCCC#Cc1ccc(CC(=CC(=O)NCc2ccc(OCC(=O)O)cc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MMP2 P08253 1/20 0.42
MMP12 P39900 1/20 0.42
PLA2G4B P0C869 2/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ACACB O00763 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
HDAC3 O15379 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2851095 0.80 FFAR1 (0.59) FFAR1FFAR4MMP2MMP12PLA2G4B
SCHEMBL5610765 0.72 FFAR1 (0.52) FFAR1FFAR4MMP2MMP12LMNA
SCHEMBL2851119 0.72 FFAR1 (0.56) FFAR1FFAR4MMP2MMP12PLA2G4B
SCHEMBL2857113 0.71 SNCA (0.51) FFAR1FFAR4MMP2MMP12PPARG
SCHEMBL2857116 0.71 SNCA (0.51) FFAR1FFAR4MMP2MMP12PPARG
SCHEMBL13708320 0.71 FFAR1 (0.52) FFAR1FFAR4MMP2MMP12PLA2G4B
SCHEMBL25456552 0.71 FFAR1 (0.74) FFAR1FFAR4MMP2MMP12PLA2G4B
SCHEMBL2854941 0.70 FFAR1 (0.57) FFAR1FFAR4MMP2MMP12PLA2G4B
SCHEMBL5996248 0.70 FFAR1 (0.51) FFAR1FFAR4MMP2MMP12EPHX2
SCHEMBL14252006 0.69 FFAR1 (0.57) FFAR1FFAR4MMP2MMP12ALDH1A1

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-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS FFAR1 91/4885FFAR4 218/4885MMP2 2103/4885

“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.