SCHEMBL6152055

SCHEMBL6152055

COc1ccccc1C1(C)CC(Nc2n[nH]cc2Br)C(=O)O1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.31
AKR1B1 P15121 1/20 0.31
CYP3A4 P08684 1/20 0.31
LPAR1 Q92633 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL5774783 0.82 MAPT (0.34) KMT2AALDH1A1AKR1B1CYP3A4LPAR1
SCHEMBL5778229 0.80 HCRTR1 (0.33) ALDH1A1AKR1B1CYP3A4LPAR1HDAC3
SCHEMBL5775523 0.79 KDM4E (0.35) KMT2AALDH1A1AKR1B1CYP3A4SIGMAR1
SCHEMBL5778733 0.79 HTR6 (0.31)
SCHEMBL5776246 0.78 SMN1; SMN2 (0.43) KMT2AALDH1A1MAPK1
SCHEMBL5776501 0.77 PDGFRB (0.34) KMT2AALDH1A1AKR1B1POLBMAPK1
SCHEMBL6152061 0.77 LMNA (0.41) KMT2AALDH1A1POLB
SCHEMBL5774608 0.75 STK10 (0.39) KMT2AALDH1A1AKR1B1SIGMAR1
SCHEMBL5775032 0.75 KDM4E (0.42) KMT2AALDH1A1AKR1B1HDAC3HDAC1
SCHEMBL5777831 0.74 POLB (0.40) KMT2AALDH1A1POLBMAPK1GFER

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 KMT2A 4167/4885ALDH1A1 4494/4885AKR1B1 3078/4885

“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.