SCHEMBL3137478

SCHEMBL3137478

COc1cccc(-c2cccc(CC(Cc3cccc(-c4cccc(OC)n4)c3)Cc3cccc(-c4cccc(OC)n4)c3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
PTGES2 Q9H7Z7 1/20 0.41
KDR P35968 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
BTK Q06187 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
IDH1 O75874 1/20 0.36
MRE11 P49959 1/20 0.36
FGFR3 P22607 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
METAP2 P50579 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL13040760 0.84 IDO1 (0.49) CNR1PTGES2KDRCTSSCTSK
SCHEMBL16675760 0.83 CNR1 (0.48) CNR1PTGES2KDRBTK
SCHEMBL13271123 0.77 CNR1 (0.41) CNR1PTGES2KDRCTSSCTSK
SCHEMBL3137904 0.76 CTSS (0.39) CTSSCTSKPPARGPPARAALDH1A1
SCHEMBL12499023 0.76 CNR1 (0.49) CNR1PTGES2KDRBTKMETAP2
SCHEMBL3141702 0.75 CTSS (0.39) CTSSCTSKPPARGPPARAALDH1A1
SCHEMBL20710589 0.75 CNR1 (0.46) CNR1PTGES2KDRCTSSCTSK
SCHEMBL1360819 0.75 RAB9A (0.60) CNR1PTGES2KDRBTKNPC1
SCHEMBL30469304 0.74 NPC1 (0.49) CNR1PTGES2KDRBTKMETAP2
SCHEMBL2627239 0.74 NPC1 (0.49) CNR1PTGES2KDRBTKMETAP2

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-7825249-B2 Metal complexes MERCK PATENT GMBH (DE) 2010-11-02 US disclosed
EP-1749014-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-07-07 EP disclosed
US-20070249834-A1 Metal Complexes MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2007-10-25 US disclosed
EP-1749014-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2007-02-07 EP disclosed
WO-2005113563-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2005-12-01 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-20070249834-A1 Metal Complexes SOD1, AP1M1, AP2A1 CNR1 3626/4885PTGES2 1339/4885KDR 4595/4885

“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.