SCHEMBL2547697

SCHEMBL2547697

CCC(C(C)=O)=C(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
THRB P10828 1/20 0.46
PGGT1B P53609 1/20 0.46
TDP1 Q9NUW8 2/20 0.40
FFAR3 O14843 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.32
THPO P40225 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIK3 Q13003 1/20 0.31
GRIK5 Q16478 1/20 0.31

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
SCHEMBL554290 0.86 FNTA (0.54) FNTAFNTBTHRBPGGT1BTDP1
SCHEMBL164727 0.86 FNTA (0.54) FNTAFNTBTHRBPGGT1BTDP1
SCHEMBL554287 0.86 FNTA (0.54) FNTAFNTBTHRBPGGT1BTDP1
SCHEMBL304615 0.83 FNTA (0.52) FNTAFNTBTHRBPGGT1BTDP1
SCHEMBL304617 0.83 FNTA (0.52) FNTAFNTBTHRBPGGT1BTDP1
SCHEMBL1300238 0.81 FNTA (0.45) FNTAFNTBTHRBPGGT1BTDP1
SCHEMBL2620527 0.80 FFAR3 (0.42) FNTAFNTBTHRBPGGT1BTDP1
SCHEMBL8852386 0.79 FNTA (0.43) FNTAFNTBTHRBPGGT1BTDP1
SCHEMBL732787 0.79 FNTA (0.54) FNTAFNTBTHRBPGGT1BTDP1
SCHEMBL30198647 0.78 FNTA (0.41) FNTAFNTBTHRBPGGT1BTDP1

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-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives NOVARTIS AG (CH) 2011-10-27 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-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives BCAT1, BCAT2, AADAT FNTA 769/4885FNTB 610/4885THRB 941/4885

“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.