SCHEMBL955189

SCHEMBL955189

COC(c1cccc(Cc2ccccc2)n1)(c1cccc(Cc2ccccc2)n1)c1cccc(Cc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
KCNH2 Q12809 2/20 0.39
LTA4H P09960 1/20 0.38
HMGCR P04035 1/20 0.38
CALM1 P0DP23 1/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ADORA2A P29274 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34
PDE2A O00408 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL956811 0.85 BRD4 (0.43) BRD4KCNH2LTA4HHMGCRCALM1
SCHEMBL13670084 0.77 BRD4 (0.45) BRD4KCNH2HMGCRCALM1TLR8
SCHEMBL3407693 0.77 BRD4 (0.42) BRD4KCNH2LTA4HHMGCRCALM1
Ammonia Solution, Strong SCHEMBL27432333 0.76 BRD4 (0.47) BRD4KCNH2CALM1ALDH1A1
SCHEMBL11330543 0.75 KCNH2 (0.62) BRD4KCNH2CALM1ALDH1A1ADORA2A
SCHEMBL3406550 0.74 KCNH2 (0.41) BRD4KCNH2HMGCRCALM1TLR8
SCHEMBL5229072 0.74 BRD4 (0.49) BRD4KCNH2LTA4HCALM1TLR8
SCHEMBL13670464 0.73 BRD4 (0.42) BRD4KCNH2HMGCRCALM1TLR8
SCHEMBL1563589 0.71 SMN1; SMN2 (0.56) BRD4KCNH2CALM1ALDH1A1HPGD
SCHEMBL12915340 0.68 BRD4 (0.50) BRD4KCNH2CALM1ALDH1A1ADORA2A

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 BRD4 2197/4885KCNH2 360/4885LTA4H 3082/4885

“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.