SCHEMBL13174342

SCHEMBL13174342

CC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KIF11 P52732 4/20 0.40
PPARG P37231 4/20 0.37
PPARA Q07869 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAT2A P31153 1/20 0.33
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
TSPO P30536 1/20 0.32

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
SCHEMBL13132840 1.00 KDM4E (0.43) KDM4EATML3MBTL1KIF11PPARG
SCHEMBL13132903 0.96 KIF11 (0.43) KDM4EATML3MBTL1KIF11PPARG
SCHEMBL13132907 0.96 KIF11 (0.43) KDM4EATML3MBTL1KIF11PPARG
SCHEMBL13132895 0.96 KIF11 (0.43) KDM4EATML3MBTL1KIF11PPARG
SCHEMBL13232940 0.93 KDM4E (0.44) KDM4EATML3MBTL1KIF11PPARG
SCHEMBL13232636 0.93 KDM4E (0.44) KDM4EATML3MBTL1KIF11PPARG
SCHEMBL13132901 0.92 ATM (0.42) KDM4EATML3MBTL1KIF11PPARG
SCHEMBL13132899 0.92 KDM4E (0.41) KDM4EATML3MBTL1KIF11PPARG
SCHEMBL13132887 0.92 KDM4E (0.41) KDM4EATML3MBTL1KIF11PPARG
SCHEMBL13174288 0.91 KDM4E (0.43) KDM4EATML3MBTL1KIF11PPARG

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-8735878-B2 Charge transporting material and organic electroluminescence device UDC IRELAND LIMITED (IE) 2014-05-27 US disclosed
US-8735878-B2 Charge transporting material and organic electroluminescence device UDC IRELAND LIMITED (IE) 2014-05-27 US disclosed
US-20120256173-A1 CHARGE TRANSPORTING MATERIAL AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-10-11 US disclosed
US-20120256173-A1 CHARGE TRANSPORTING MATERIAL AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-10-11 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-20120256173-A1 CHARGE TRANSPORTING MATERIAL AND ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLC39A3, SLC39A11 KDM4E 3988/4885ATM 4617/4885L3MBTL1 570/4885

“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.