SCHEMBL1884472

SCHEMBL1884472

C=CC[C@@H](C(=O)O)N(CC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 4/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ESR1 P03372 2/20 0.35
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1883886 1.00 CYP2C19 (0.46) CYP2C19ALDH1A1TSHRGLANR1H2
SCHEMBL9324872 0.82 TSHR (0.48) CYP2C19ALDH1A1TSHRGLANR1H2
SCHEMBL30401308 0.80 TSHR (0.47) ALDH1A1TSHRGLANR1H2NR1H3
SCHEMBL11719062 0.79 ALDH1A1 (0.46) ALDH1A1TSHRGLANR1H2NR1H3
SCHEMBL11041302 0.79 TSHR (0.46) ALDH1A1TSHRGLANR1H2NR1H3
SCHEMBL1878620 0.78 CYP1A2 (0.47) CYP2C19ALDH1A1TSHRGLANR1H2
SCHEMBL1881896 0.78 CYP1A2 (0.47) CYP2C19ALDH1A1TSHRGLANR1H2
SCHEMBL3963417 0.78 CYP1A2 (0.47) CYP2C19ALDH1A1TSHRGLANR1H2
SCHEMBL9676347 0.74 ALDH1A1 (0.52) CYP2C19ALDH1A1TSHRGLANR1H2
SCHEMBL3343171 0.73 ALDH1A1 (0.50) ALDH1A1TSHRGLANR1H2NR1H3

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
EP-2050738-B1 NOVEL IMIDAZOLIDINONE DERIVATIVE, METHOD OF PRODUCING THE SAME AND METHOD OF PRODUCING OPTICALLY ACTIVE AMINO ACID KANEKA CORP (JP) 2013-07-10 EP disclosed
US-7947722-B2 Imidazolidinone derivative, method of producing the same and method of producing optically active amino acid KANEKA CORPORATION (JP) 2011-05-24 US disclosed
US-20090209768-A1 NOVEL IMIDAZOLIDINONE DERIVATIVE, METHOD OF PRODUCING THE SAME AND METHOD OF PRODUCING OPTICALLY ACTIVE AMINO ACID KANEKA CORPORATION (JP) 2009-08-20 US disclosed
EP-2050738-A1 NOVEL IMIDAZOLIDINONE DERIVATIVE, METHOD OF PRODUCING THE SAME AND METHOD OF PRODUCING OPTICALLY ACTIVE AMINO ACID Kaneka Corporation (JP) 2009-04-22 EP 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-20090209768-A1 NOVEL IMIDAZOLIDINONE DERIVATIVE, METHOD OF PRODUCING THE SAME AND METHOD OF PRODUCING OPTICALLY ACTIVE AMINO ACID DAO, RCC2, AADAT CYP2C19 1264/4885ALDH1A1 2987/4885TSHR 3364/4885

“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.