SCHEMBL2586619

SCHEMBL2586619

CCC(CC(=O)c1ccc(OC)cc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.76
ALDH1A1 P00352 4/20 0.55
FFAR1 O14842 1/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 2/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ATM Q13315 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HSD11B1 P28845 1/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
GSK3B P49841 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL12158739 1.00 L3MBTL1 (0.76) L3MBTL1ALDH1A1FFAR1NPC1RAB9A
SCHEMBL12174632 0.94 L3MBTL1 (0.86) L3MBTL1ALDH1A1FFAR1NPC1RAB9A
SCHEMBL7717108 0.94 L3MBTL1 (0.86) L3MBTL1ALDH1A1FFAR1NPC1RAB9A
SCHEMBL16624890 0.88 L3MBTL1 (0.81) L3MBTL1ALDH1A1FFAR1NPC1RAB9A
SCHEMBL19071295 0.88 L3MBTL1 (0.81) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28114650 0.86 ATM (0.66) L3MBTL1ALDH1A1NPC1SMN1; SMN2TDP1
SCHEMBL2581702 0.86 ATM (0.66) L3MBTL1ALDH1A1NPC1SMN1; SMN2TDP1
SCHEMBL12158645 0.86 ATM (0.66) L3MBTL1ALDH1A1NPC1SMN1; SMN2TDP1
SCHEMBL16624900 0.86 L3MBTL1 (0.76) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16624892 0.85 L3MBTL1 (0.71) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2

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-8304581-B2 Method of enantioselective addition to enones NATIONAL TSING HUA UNIVERSITY (TW) 2012-11-06 US disclosed
US-20110282101-A1 METHOD OF ENANTIOSELECTIVE ADDITION TO ENONES NATIONAL TSING HUA UNIVERSITY (TW) 2011-11-17 US disclosed
US-6380392-B1 COMPLEXES THE PENN STATE RESEARCH FOUNDATION 2002-04-30 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-20110282101-A1 METHOD OF ENANTIOSELECTIVE ADDITION TO ENONES CPNE4, ENY2, CYP3A4 L3MBTL1 3225/4885ALDH1A1 1344/4885FFAR1 3655/4885

“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.