SCHEMBL2176011

SCHEMBL2176011

CCCCCOc1ccn(Cc2ccc(OC)c(OCCOC)c2Cl)c(=O)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 1/20 0.36
KLKB1 P03952 1/20 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
SCHEMBL2175566 0.92 CNR2 (0.39) CNR2KDM4EMEN1ALDH1A1LMNA
SCHEMBL2175223 0.90 THRA (0.41) CNR2KDM4EALDH1A1
SCHEMBL2175196 0.87 LTA4H (0.45) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL2179803 0.87 MAPK14 (0.53) MEN1ALDH1A1KMT2AMAPK14
SCHEMBL2174906 0.86 CNR2 (0.41) CNR2
SCHEMBL2174968 0.85 CNR2 (0.39) CNR2MAPK14
SCHEMBL2178553 0.82 MEN1 (0.40) CNR2MEN1ALDH1A1KMT2AMAPK14
SCHEMBL2177989 0.79 MEN1 (0.41) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL2176608 0.78 MAPK14 (0.45) ALDH1A1LMNAMAPK14
SCHEMBL2178275 0.77 TLR7 (0.50) ALDH1A1

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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT CNR2 4791/4885KDM4E 3785/4885MEN1 3245/4885

“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.