SCHEMBL5658248

SCHEMBL5658248

COC(=O)C1=C(NC(C)=O)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.46
SLC6A3 Q01959 11/20 0.44
SLC6A2 P23975 8/20 0.44
SLC6A4 P31645 1/20 0.44
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL14539606 1.00 ALDH1A1 (0.49) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL5656613 0.94 SLC6A3 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL5657798 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL5657803 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL5657293 0.81 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL29013549 0.79 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4MAPK1
SCHEMBL23869868 0.78 SLC6A3 (0.39) ALDH1A1MAPTHPGDSMN1; SMN2SLC6A3
SCHEMBL8128905 0.78 KDM4E (0.45) ALDH1A1MAPTSMN1; SMN2KDM4ESLC6A3
SCHEMBL1820474 0.78 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4MAPK1
SCHEMBL8128143 0.77 CA12 (0.39) ALDH1A1SLC6A3SLC6A2SLC6A4MAPK1

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 2383/4885MAPT 3985/4885HPGD 2994/4885

“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.