SCHEMBL430118

SCHEMBL430118

COCCOc1ccc(OBOc2ccc(OCCOC)c(OC)c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL23115 0.82 CA2 (0.67) CA12CA1CA2CA7CA9
SCHEMBL906203 0.76 NPC1 (0.53) MAPTALDH1A1HPGDL3MBTL1MEN1
SCHEMBL7001144 0.76 KDM4E (0.43) MAPTL3MBTL1RAB9AKDM4EPRSS1
SCHEMBL8256686 0.75 L3MBTL1 (0.72) MAPTALDH1A1HPGDL3MBTL1MEN1
SCHEMBL858361 0.74 FDPS (0.50) FDPSMAPTALDH1A1HPGDL3MBTL1
SCHEMBL10187277 0.74 MAPT (0.66) FDPSMAPTALDH1A1HPGDL3MBTL1
SCHEMBL6736811 0.73 NR5A1 (0.46) ALDH1A1HPGD
SCHEMBL14930189 0.72 INPPL1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL13634485 0.72 L3MBTL1 (0.50) FDPSCA2MAPTALDH1A1HPGD
SCHEMBL290040 0.72 CA12 (0.71) CA12CA1CA2CA7CA9

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-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 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 (2 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 FDPS 539/4885CA12 2439/4885CA1 2861/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 FDPS 539/4885CA12 2439/4885CA1 2861/4885

“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.