SCHEMBL5655422

SCHEMBL5655422

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
ABCB1 P08183 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA1 P30542 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 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
SCHEMBL8127706 0.86 ALDH1A1 (0.52) ALDH1A1MAPTTSHRSMN1; SMN2GAA
SCHEMBL5656195 0.85 ATR (0.39) ALDH1A1GAAKMT2ACA1CA2
SCHEMBL8120086 0.83 ALDH1A1 (0.49) ALDH1A1MAPTTSHRSMN1; SMN2GAA
SCHEMBL5656216 0.80 ALDH1A1 (0.44) ALDH1A1MAPTTSHRSMN1; SMN2GAA
SCHEMBL31665597 0.80 CA1 (0.34) ALDH1A1MAPTTSHRSMN1; SMN2ALOX15
SCHEMBL11898141 0.79 POLB (0.48) ALDH1A1MAPTTSHRSMN1; SMN2GAA
SCHEMBL8114870 0.78 TSHR (0.41) ALDH1A1MAPTTSHRSMN1; SMN2GAA
SCHEMBL28283233 0.78 KDM4E (0.55) ALDH1A1MAPTTSHRSMN1; SMN2GAA
SCHEMBL5657293 0.77 ALDH1A1 (0.44) ALDH1A1MAPTTSHRSMN1; SMN2GAA
SCHEMBL4495971 0.77 MAPT (0.44) ALDH1A1MAPTTSHRSMN1; SMN2GAA

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 2 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-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 3985/4885TSHR 393/4885

“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.