SCHEMBL2545649

SCHEMBL2545649

CCC[C@H](O)/C=C/C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.58
BACE1 P56817 1/20 0.58
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41

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
SCHEMBL1941417 1.00 ACHE (0.58) ACHEBACE1GABRPGABRDGABRA1
Methyl Alcohol SCHEMBL4653215 0.98 ACHE (0.56) ACHEBACE1GABRPGABRDGABRA1
Glutarate SCHEMBL11026421 0.89 ACHE (0.53) ACHEBACE1MAPTPPARGFPR2
SCHEMBL8090945 0.87 ACHE (0.76) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL8828842 0.87 ACHE (0.76) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL2494373 0.85 ACHE (0.68) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL2494371 0.85 ACHE (0.68) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL9682170 0.84 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL8985063 0.84 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL7077271 0.84 ACHE (0.66) ACHEBACE1TRPA1DDAH1GAPDH

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 ACHE 3157/4885BACE1 818/4885GABRP 80/4885

“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.