SCHEMBL13613501

SCHEMBL13613501

CCOC(=O)N(CC)C(CC)CC=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.31

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
SCHEMBL10211028 0.80 CTSK (0.32)
SCHEMBL20166098 0.77 MGAM (0.39) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL13630989 0.72 CHRM2 (0.32)
SCHEMBL20306165 0.71 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL21081854 0.70 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28870487 0.68 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL28870488 0.68 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL29128007 0.68 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL24661484 0.68 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL20165506 0.68 MGAM (0.36) ALDH1A1LMNAHSD17B10POLBL3MBTL1

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-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R 2009-12-03 US disclosed
US-7589103-B2 Especially 2-aminocarbonyl-9-(thio)xanthenylidene-8-aza-bicyclo[3.2.1] octane derivatives are used in pharmaceutical and veterinary compositions for treating mild to severe pain and various diseases JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-15 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-20090298867-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ALDH1A1 1302/4885LMNA 4142/4885HSD17B10 1523/4885

“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.