SCHEMBL6152046

SCHEMBL6152046

COc1ccc(C2(C)CC(Nc3cc(C)ccn3)C(=O)O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
TP53 P04637 2/20 0.43
MAPK10 P53779 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
MAPT P10636 3/20 0.41
PKM P14618 2/20 0.41
MITF O75030 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RIOK2 Q9BVS4 3/20 0.36
GSK3A P49840 2/20 0.36
LMNA P02545 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35

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
SCHEMBL6153174 0.89 KDM4E (0.47) ALDH1A1KDM4EL3MBTL1SMN1; SMN2NPC1
SCHEMBL6152057 0.87 MEN1 (0.41) ALDH1A1KDM4ETP53L3MBTL1SMN1; SMN2
SCHEMBL6152619 0.85 PHGDH (0.40) ALDH1A1KDM4ETP53MAPTMEN1
SCHEMBL6152448 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ETP53L3MBTL1SMN1; SMN2
SCHEMBL6152445 0.85 ALDH1A1 (0.40) ALDH1A1KDM4ETP53L3MBTL1SMN1; SMN2
SCHEMBL6152501 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ETP53L3MBTL1SMN1; SMN2
SCHEMBL6152911 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ETP53L3MBTL1SMN1; SMN2
SCHEMBL6152267 0.81 NPC1 (0.47) ALDH1A1KDM4EL3MBTL1SMN1; SMN2NPC1
SCHEMBL6152033 0.79 ALDH1A1 (0.40) ALDH1A1KDM4ETP53L3MBTL1SMN1; SMN2
SCHEMBL6152536 0.76 CHRNB2 (0.47) ALDH1A1TP53SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US claimed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP claimed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US claimed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 WO claimed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US disclosed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP disclosed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US disclosed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 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-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations BACE1, MYC, APP ALDH1A1 4494/4885KDM4E 3918/4885TP53 384/4885

“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.