SCHEMBL2177989

SCHEMBL2177989

CCCCCOc1ccn(Cc2cccc(OC)c2OC)c(=O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE5A O76074 1/20 0.41
MAPK1 P28482 1/20 0.40
BCHE P06276 1/20 0.40
MAPK14 Q16539 1/20 0.40
MIF P14174 2/20 0.40
CD74 P04233 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2176608 0.90 MAPK14 (0.45) PDE5AMAPK14LMNAMAPTALDH1A1
SCHEMBL2175566 0.85 CNR2 (0.39) MEN1KMT2AMAPK14LMNAKDM4E
SCHEMBL2178553 0.83 MEN1 (0.40) MEN1KMT2AMAPK14ALDH1A1
SCHEMBL2178035 0.82 MAPK14 (0.49) MAPK14
SCHEMBL2174907 0.80 MAPK14 (0.47) MAPK14MAPT
SCHEMBL2178275 0.80 TLR7 (0.50) ALDH1A1
SCHEMBL2178547 0.80 MAPK14 (0.44) MAPK14
SCHEMBL2176011 0.79 CNR2 (0.39) MEN1KMT2AMAPK14LMNAKDM4E
SCHEMBL2178244 0.79 MAPK14 (0.46) MAPK14
SCHEMBL2179179 0.79 MAPK14 (0.46) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN claimed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN claimed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO claimed
CN-101282930-B Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC 2012-10-24 CN disclosed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
CN-101282930-A Fab I inhibitor and process for preparing same CRYSTALGENOMICS INC (KR) 2008-10-08 CN 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 MEN1 3245/4885KMT2A 3342/4885PDE5A 4256/4885

“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.