SCHEMBL4400718

SCHEMBL4400718

FC(F)(F)c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.62
DHODH Q02127 1/20 0.48
ESR1 P03372 2/20 0.47
AGXT P21549 1/20 0.46
BACE1 P56817 2/20 0.45
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
GLO1 Q04760 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MGLL Q99685 1/20 0.42
PTPN1 P18031 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL13158727 0.90 KIF11 (0.62) KIF11DHODHESR1AGXTBACE1
SCHEMBL22978403 0.89 KIF11 (0.71) KIF11ESR1BACE1ALDH1A1TSHR
SCHEMBL4399883 0.88 KIF11 (0.53) KIF11ESR1ALDH1A1TSHRPTPN1
SCHEMBL27214763 0.85 KIF11 (0.62) KIF11ESR1BACE1ALDH1A1TSHR
SCHEMBL13433111 0.84 KIF11 (0.44) KIF11DHODHESR1AGXTGLO1
SCHEMBL13433092 0.84 KIF11 (0.44) KIF11DHODHESR1AGXTGLO1
SCHEMBL22978405 0.84 CNR2 (0.53) KIF11ESR1ALDH1A1TSHR
SCHEMBL22993062 0.84 KIF11 (0.50) KIF11DHODHESR1AGXTBACE1
SCHEMBL4826653 0.83 ESR1 (0.48) ESR1ALDH1A1MEN1KMT2AMGLL
SCHEMBL27919629 0.83 MAOA (0.46) ESR1ALDH1A1MEN1KMT2AMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680480-B1 OLED DEVICE WITH ASYMMETRIC HOST GLOBAL OLED TECHNOLOGY LLC (US) 2012-05-02 EP disclosed
US-8034465-B2 Phosphorescent oled having double exciton-blocking layers GLOBAL OLED TECHNOLOGY LLC (US) 2011-10-11 US disclosed
US-8034465-B2 Phosphorescent oled having double exciton-blocking layers GLOBAL OLED TECHNOLOGY LLC (US) 2011-10-11 US disclosed
US-7914908-B2 Organic electroluminescent device having an azatriphenylene derivative GLOBAL OLED TECHNOLOGY LLC (US) 2011-03-29 US disclosed
US-20090191427-A1 PHOSPHORESCENT OLED HAVING DOUBLE HOLE-BLOCKING LAYERS GLOBAL OLED TECHNOLOGY LLC 2009-07-30 US disclosed
US-20090191427-A1 PHOSPHORESCENT OLED HAVING DOUBLE HOLE-BLOCKING LAYERS GLOBAL OLED TECHNOLOGY LLC 2009-07-30 US disclosed
US-20090115316-A1 ORGANIC ELECTROLUMINESCENT DEVICE HAVING AN AZATRIPHENYLENE DERIVATIVE GLOBAL OLED TECHNOLOGY LLC 2009-05-07 US disclosed
US-20090115316-A1 ORGANIC ELECTROLUMINESCENT DEVICE HAVING AN AZATRIPHENYLENE DERIVATIVE GLOBAL OLED TECHNOLOGY LLC 2009-05-07 US disclosed
US-20090091242-A1 HOLE-INJECTING LAYER IN OLEDS GLOBAL OLED TECHNOLOGY LLC 2009-04-09 US disclosed
US-20090091242-A1 HOLE-INJECTING LAYER IN OLEDS GLOBAL OLED TECHNOLOGY LLC 2009-04-09 US disclosed
US-20080315753-A1 PHOSPHORESCENT OLED HAVING DOUBLE EXCITON-BLOCKING LAYERS GLOBAL OLED TECHNOLOGY LLC 2008-12-25 US disclosed
US-20080315753-A1 PHOSPHORESCENT OLED HAVING DOUBLE EXCITON-BLOCKING LAYERS GLOBAL OLED TECHNOLOGY LLC 2008-12-25 US disclosed
US-20080284317-A1 HYBRID OLED HAVING IMPROVED EFFICIENCY GLOBAL OLED TECHNOLOGY LLC 2008-11-20 US disclosed
US-20080284317-A1 HYBRID OLED HAVING IMPROVED EFFICIENCY GLOBAL OLED TECHNOLOGY LLC 2008-11-20 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-20090115316-A1 ORGANIC ELECTROLUMINESCENT DEVICE HAVING AN AZATRIPHENYLENE DERIVATIVE DNMT1, EED, ALKBH2 KIF11 394/4885DHODH 385/4885ESR1 10/4885

“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.