SCHEMBL12166364

SCHEMBL12166364

c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cc(-c6nc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)nc(-c7cccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c7)n6)cc(C6(c7cc(-c8nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)n8)cc(-c8nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)n8)c7)c7ccccc7Sc7ccccc76)c5)n4)c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.35
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
KMO O15229 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
DHODH Q02127 1/20 0.31
PSMB8 P28062 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL12166373 1.00 GP6 (0.35) GP6MEN1ALDH1A1MAPTHPGD
SCHEMBL12166380 0.99 GP6 (0.36) GP6MEN1ALDH1A1MAPTHPGD
SCHEMBL12166382 0.96 GP6 (0.34) GP6MEN1ALDH1A1MAPTHPGD
SCHEMBL12166372 0.96 L3MBTL1 (0.35) GP6MEN1ALDH1A1MAPTHPGD
SCHEMBL12166355 0.96 L3MBTL1 (0.33) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL12166390 0.94 GP6 (0.35) GP6MEN1ALDH1A1MAPTHPGD
SCHEMBL12166385 0.94 GP6 (0.35) GP6MEN1ALDH1A1MAPTHPGD
SCHEMBL12166389 0.94 MEN1 (0.32) GP6MEN1ALDH1A1MAPTHPGD
SCHEMBL12166348 0.91 L3MBTL1 (0.38) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL12166381 0.90 L3MBTL1 (0.35) GP6MEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120228554-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-09-13 US disclosed
US-20120228554-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-09-13 US 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-20120228554-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2B1, SLCO2A1 GP6 773/4885MEN1 665/4885ALDH1A1 2905/4885

“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.