SCHEMBL3206357

SCHEMBL3206357

COC(=O)C1(C(=O)OC)CCC(=O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL5077415 0.76
SCHEMBL1009636 0.71 CYP2C19 (0.40) SMN1; SMN2NPSR1LMNAMAPTMEN1
SCHEMBL29111400 0.71 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1LMNAHPGDHSD17B10
SCHEMBL11063094 0.65 NPSR1 (0.31) NPSR1
SCHEMBL12462742 0.65 NPSR1 (0.38) SMN1; SMN2NPSR1LMNAKDM4EALDH1A1
SCHEMBL10422710 0.64 NPSR1 (0.35) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL5316754 0.64 ALDH1A1 (0.36) SMN1; SMN2NPSR1LMNAKDM4EALDH1A1
SCHEMBL15658345 0.64 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3880676 0.64 FFAR3 (0.37) SMN1; SMN2NPSR1LMNAKDM4EALDH1A1
SCHEMBL8019772 0.64 NPSR1 (0.36) SMN1; SMN2NPSR1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 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-20100048604-A1 Ligands for Aldoketoreductases AKR1C2, AKR1C1, AKR1B1 SMN1; SMN2 2620/4885NPSR1 2820/4885LMNA 2155/4885

“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.