SCHEMBL1000877

SCHEMBL1000877

CCCCCCCCCCCCOc1cccc2ccc(C(=O)OC)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.61
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC6 Q9UBN7 2/20 0.45
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 2/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL11038409 0.87 MCHR1 (0.64) MCHR1KDM4ELMNAMAPTHDAC6
SCHEMBL1000827 0.87 MCHR1 (0.64) MCHR1KDM4ELMNAMAPTHDAC6
SCHEMBL11036835 0.87 MCHR1 (0.64) MCHR1KDM4ELMNAMAPTHDAC6
SCHEMBL11038088 0.87 MCHR1 (0.64) MCHR1KDM4ELMNAMAPTHDAC6
SCHEMBL9103046 0.83 KDM4E (0.45) MCHR1KDM4EALDH1A1LMNAMAPT
SCHEMBL11035922 0.80 KDM4E (0.55) MCHR1KDM4ELMNAHDAC6MEN1
SCHEMBL11041376 0.80 KDM4E (0.55) MCHR1KDM4ELMNAHDAC6MEN1
SCHEMBL4701058 0.80 KDM4E (0.56) MCHR1KDM4EALDH1A1MAPTHPGD
SCHEMBL11040349 0.78 MCHR1 (0.53) MCHR1KDM4EMEN1KMT2ACNR1
SCHEMBL11037636 0.78 KDM4E (0.57) MCHR1KDM4ELMNAMAPTHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 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-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 MCHR1 2175/4885KDM4E 4472/4885ALDH1A1 4771/4885

“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.