SCHEMBL5656216

SCHEMBL5656216

CCOC(=O)C1=C(NC(C)=O)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
TSHR P16473 5/20 0.44
ALOX15 P16050 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 3/20 0.41
GAA P10253 2/20 0.41
RECQL P46063 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 4/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5657293 0.97 ALDH1A1 (0.44) ALDH1A1TSHRALOX15HPGDMAPT
SCHEMBL5657803 0.95 ALDH1A1 (0.43) ALDH1A1TSHRALOX15HPGDMAPT
SCHEMBL5657798 0.95 ALDH1A1 (0.43) ALDH1A1TSHRALOX15HPGDMAPT
SCHEMBL8127706 0.87 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HPGDMAPT
SCHEMBL11898141 0.85 POLB (0.48) ALDH1A1TSHRALOX15HPGDMAPT
SCHEMBL8120086 0.83 ALDH1A1 (0.49) ALDH1A1TSHRALOX15HPGDMAPT
SCHEMBL4495971 0.83 MAPT (0.44) ALDH1A1TSHRALOX15HPGDMAPT
SCHEMBL5656613 0.82 SLC6A3 (0.45) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL8114870 0.81 TSHR (0.41) ALDH1A1TSHRALOX15MAPTMAPK1
SCHEMBL4492930 0.81 MAPT (0.43) ALDH1A1TSHRALOX15HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214813-B2 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
US-7214813-B2 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
US-20040242889-A1 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION 2004-12-02 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-20040242889-A1 Preparation of chiral cyclic amino acids and derivatives AADAT, PAM, BCAT2 ALDH1A1 2383/4885TSHR 393/4885ALOX15 4247/4885

“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.