SCHEMBL6152680

SCHEMBL6152680

Cc1cc(C)nc(NC2CC(C)(c3ccc(C4CCCCC4)cc3)OC2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 2/20 0.35
PHGDH O43175 1/20 0.34
SYK P43405 5/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
XBP1 P17861 1/20 0.32
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABL1 P00519 1/20 0.31
EPHX2 P34913 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 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
SCHEMBL6152446 0.88 NOS3 (0.35) ALDH1A1KDM4EHPGDPHGDHSMN1; SMN2
SCHEMBL6152501 0.86 ALDH1A1 (0.47) LMNAALDH1A1KDM4EHPGDHTT
SCHEMBL6152460 0.85 NOS3 (0.33) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL6152508 0.84 NOS3 (0.36) PHGDHSYKSMN1; SMN2KMT2ANOS3
SCHEMBL6152273 0.83 PDE2A (0.36) LMNAALDH1A1KDM4EPHGDHSYK
SCHEMBL6152619 0.83 PHGDH (0.40) LMNAALDH1A1KDM4EPHGDHMAPT
SCHEMBL6153002 0.83 PDE2A (0.36) ALDH1A1KDM4EPHGDHSMN1; SMN2KCNH2
SCHEMBL6152633 0.83 NOS3 (0.33) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL6152284 0.82 PHGDH (0.31) PHGDHNOS3NOS2
SCHEMBL6153509 0.81 PHGDH (0.38) LMNAALDH1A1KDM4EHPGDPHGDH

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 LMNA 811/4885ALDH1A1 4494/4885KDM4E 3918/4885

“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.