SCHEMBL3705538

SCHEMBL3705538

CCOC(=O)C[C@H]1C[C@@H]2C[C@H](C1)C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TRPA1 O75762 1/20 0.36
EPHX2 P34913 2/20 0.36
DPP4 P27487 1/20 0.35
KMT2A Q03164 2/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3705541 1.00 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15369661 0.77 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13692717 0.77 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15423597 0.77 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14599334 0.76 EPHX2 (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7712409 0.76 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11043011 0.76 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL19728295 0.76 GAA (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13913069 0.76 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14384518 0.75 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1

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-8609674-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
US-20120122890-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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-20120122890-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNQ3 MGAM 4526/4885GAA 2760/4885SI 4552/4885

“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.