SCHEMBL954527

SCHEMBL954527

FC(c1cccc(Oc2ccccc2)n1)(c1cccc(Oc2ccccc2)n1)c1cccc(Oc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.48
LOX P28300 1/20 0.48
BLM P54132 1/20 0.42
F2 P00734 4/20 0.42
F10 P00742 4/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MAP4K4 O95819 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.40
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL15871857 0.89 LOXL2 (0.55) LOXL2LOXBLMF2F10
SCHEMBL2521152 0.82 LTA4H (0.58) F2F10PRSS1PRSS2PRSS3
SCHEMBL8972092 0.81 TSHR (0.47) LOXL2LOXF2F10PRSS1
SCHEMBL25946356 0.81 F2 (0.42) LOXL2LOXF2F10PRSS1
SCHEMBL13670534 0.76 LOXL2 (0.41) LOXL2LOXBLMF2F10
SCHEMBL6316219 0.75 F2 (0.40) LOXL2LOXBLMF2F10
SCHEMBL8941611 0.75 PTPRZ1 (0.46) LOXL2LOXBLMF2F10
SCHEMBL8941674 0.75 F2 (0.46) F2F10PRSS1PRSS2PRSS3
SCHEMBL16511926 0.74 F2 (0.48) BLMF2F10PRSS1PRSS2
SCHEMBL9682231 0.74 F2 (0.39) LOXL2LOXBLMF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8617723-B2 Metal complexes MERCK PATENT GMBH (DE) 2013-12-31 US disclosed
US-20110012100-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-01-20 US disclosed
EP-2254896-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2009118087-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-10-01 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-20110012100-A1 METAL COMPLEXES AP1M1, AP3M1, SOD1 LOXL2 2818/4885LOX 3424/4885BLM 628/4885

“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.