SCHEMBL21560

SCHEMBL21560

N#CC=CCC(C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
OR51E2 Q9H255 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
SCHEMBL3626300 1.00 ALDH1A1 (0.33) ALDH1A1FNTAFNTBOR51E2
SCHEMBL2151510 0.82 GABRR1 (0.35)
SCHEMBL3626326 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3626324 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3910421 0.74 FNTA (0.39) ALDH1A1FNTAFNTBOR51E2
SCHEMBL3910423 0.74 FNTA (0.39) ALDH1A1FNTAFNTBOR51E2
SCHEMBL1961401 0.72
SCHEMBL1961400 0.72
SCHEMBL2248126 0.69
SCHEMBL2250057 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012025861-A1 PROCESS FOR THE PREPARATION OF ( S ) - 3 - CYANO - 5 - METHYLHEXANOIC ACID DERIVATIVES ADN OF PREGABALIN PFIZER MANUFACTURING IRELAND (IE) 2012-03-01 WO disclosed
US-7781586-B2 Metathesis catalysts HOFFMAN-LA ROCHE INC. (US) 2010-08-24 US disclosed
EP-2044095-B1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS HOFFMANN LA ROCHE (CH) 2009-08-26 EP disclosed
US-20080021219-A1 Metathesis Catalysts HOFFMANN-LA ROCHE INC. 2008-01-24 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-20080021219-A1 Metathesis Catalysts MTX1, MTX2, MLX ALDH1A1 2087/4885FNTA 2846/4885FNTB 2740/4885

“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.