SCHEMBL3569653

SCHEMBL3569653

CCOC(=O)C(=O)C(Cl)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GLO1 Q04760 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
MAPT P10636 1/20 0.35
TRPA1 O75762 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP2D6 P10635 1/20 0.34
GPR35 Q9HC97 2/20 0.33
CASP1 P29466 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL8833746 0.83 ALDH1A1 (0.37) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL2458296 0.81 ALDH1A1 (0.43) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL3817055 0.81 MGAM (0.43) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL6676758 0.79 ALDH1A1 (0.42) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL2458466 0.79
SCHEMBL1088298 0.79 ALDH1A1 (0.42) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL28032709 0.79 ALDH1A1 (0.42) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL6674982 0.79 ALDH1A1 (0.42) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL10571663 0.78
SCHEMBL30829428 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700634-B2 (Indol-3-yl) heterocycle derivatives as agonists of the cannabinoid CB1 receptor N.V. ORGANON (NL) 2010-04-20 US disclosed
EP-1725232-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR ORGANON NV (NL) 2008-01-23 EP disclosed
US-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor MERCK SHARP & DOHME B.V. (NL) 2007-06-21 US disclosed
EP-1725232-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR N.V. Organon (NL) 2006-11-29 EP disclosed
WO-2005089754-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR AKZO NOBEL N.V. (NL) 2005-09-29 WO 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-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor CNR1, CNR2, OPRL1 ALDH1A1 1616/4885NPSR1 57/4885GLO1 4082/4885

“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.