SCHEMBL12166398

SCHEMBL12166398

CC1(C)c2ccccc2C(c2cc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)n3)cc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)n3)c2)(c2cc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)n3)cc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)nc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)n3)c2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1I3 Q14994 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
VDR P11473 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
AHR P35869 1/20 0.33
KMO O15229 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL12166406 1.00 GP6 (0.36) GP6L3MBTL1NR1I3CYP1A2CYP3A4
SCHEMBL12166412 0.98 GP6 (0.37) GP6L3MBTL1NR1I3CYP1A2CYP3A4
SCHEMBL12166413 0.96 GP6 (0.36) GP6L3MBTL1KMORARARARB
SCHEMBL12166408 0.95 L3MBTL1 (0.41) GP6L3MBTL1NR1I3CYP1A2CYP3A4
SCHEMBL12166393 0.95 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2C9KDM4EMEN1
SCHEMBL12166423 0.94 GP6 (0.36) GP6L3MBTL1KMORARARARB
SCHEMBL12166415 0.94 GP6 (0.36) GP6L3MBTL1KMORARARARB
SCHEMBL12166419 0.94 L3MBTL1 (0.36) GP6L3MBTL1NR1I3CYP1A2CYP3A4
SCHEMBL12166395 0.91 L3MBTL1 (0.44) L3MBTL1CYP1A2CYP2C9KDM4EMEN1
SCHEMBL12166414 0.90 L3MBTL1 (0.41) GP6L3MBTL1CYP1A2CYP2C9KDM4E

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 1 patent. 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

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 773/4885L3MBTL1 2132/4885NR1I3 3142/4885

“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.