SCHEMBL5657798

SCHEMBL5657798

CCOC(=O)/C1=C(\NC(C)=O)CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
TSHR P16473 5/20 0.43
ALOX15 P16050 4/20 0.43
HPGD P15428 4/20 0.43
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 8/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLA P06280 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
SCHEMBL5657803 1.00 ALDH1A1 (0.43) ALDH1A1TSHRALOX15HPGDMAPK1
SCHEMBL5657293 0.98 ALDH1A1 (0.44) ALDH1A1TSHRALOX15HPGDMAPK1
SCHEMBL5656216 0.95 ALDH1A1 (0.44) ALDH1A1TSHRALOX15HPGDMAPK1
SCHEMBL8120086 0.85 ALDH1A1 (0.49) ALDH1A1TSHRALOX15HPGDMAPK1
SCHEMBL5658248 0.83 ALDH1A1 (0.49) ALDH1A1HPGDMAPK1MAPTKDM4E
SCHEMBL14539606 0.83 ALDH1A1 (0.49) ALDH1A1HPGDMAPK1MAPTKDM4E
SCHEMBL8127706 0.82 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HPGDHTT
SCHEMBL8123908 0.82 MAPT (0.41) ALDH1A1TSHRALOX15HPGDMAPK1
SCHEMBL11898141 0.81 POLB (0.48) ALDH1A1TSHRALOX15HPGDMAPK1
SCHEMBL8123448 0.80 MAPT (0.41) ALDH1A1TSHRALOX15HPGDMAPK1

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.