SCHEMBL5355996

SCHEMBL5355996

Brc1ccc(-c2ccc(C3(c4ccc(-c5ccc(Br)cc5)cc4)c4cc(Br)ccc4-c4ccc(Br)cc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP2 O95551 3/20 0.38
S100A4 P26447 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
MAOA P21397 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
SCHEMBL14521000 0.94 PDK2 (0.42) PDK2TDP2S100A4KDM4EMEN1
SCHEMBL12635475 0.91 MAPK1 (0.48) PDK2ALDH1A1MAPK1TDP2KDM4E
SCHEMBL5359737 0.89 PDK2 (0.38) PDK2ALDH1A1TDP2MEN1LMNA
SCHEMBL12781938 0.88 MAPK1 (0.45) PDK2ALDH1A1MAPK1TDP2KDM4E
SCHEMBL16922978 0.88 MAPK1 (0.45) PDK2ALDH1A1MAPK1TDP2KDM4E
SCHEMBL16922977 0.86 MEN1 (0.47) PDK2ALDH1A1MAPK1TDP2KDM4E
SCHEMBL13708952 0.85 KIF11 (0.37) PDK2ALDH1A1TDP2KDM4EMEN1
SCHEMBL16922981 0.84 MAPK1 (0.45) PDK2ALDH1A1MAPK1TDP2KDM4E
SCHEMBL13414972 0.84 ALDH1A1 (0.50) PDK2ALDH1A1MAPK1TDP2KDM4E
SCHEMBL3176035 0.84 ALDH1A1 (0.41) PDK2ALDH1A1MAPK1TDP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189877-B2 Arylamine derivatives having fluorene skeleton, synthetic intermediates thereof, processes of producing those, and organic electrolumivescene devices TOSCH CORPORATION (JP) 2007-03-13 US disclosed
US-7189877-B2 Arylamine derivatives having fluorene skeleton, synthetic intermediates thereof, processes of producing those, and organic electrolumivescene devices TOSCH CORPORATION (JP) 2007-03-13 US disclosed
US-7189877-B2 Arylamine derivatives having fluorene skeleton, synthetic intermediates thereof, processes of producing those, and organic electrolumivescene devices TOSCH CORPORATION (JP) 2007-03-13 US disclosed
EP-1400578-B1 Electrolumisescent 9,9-bis(4-amino)-1,1'-biphenyl)fluorene derivatives TOSOH CORP (JP) 2005-11-30 EP disclosed
US-20040110958-A1 Novel arylamine derivatives having fluorene skeleton, synthetic intermediates thereof, processes of producing those, and organic electrolumivescene devices TOSOH CORPORATION 2004-06-10 US disclosed
EP-1400578-A1 Electrolumisescent 9,9-bis(4-amino)-1,1'-biphenyl)fluorene derivatives Tosoh Corporation (JP) 2004-03-24 EP 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-20040110958-A1 Novel arylamine derivatives having fluorene skeleton, synthetic intermediates thereof, processes of producing those, and organic electrolumivescene devices AHR, NAT1, AR PDK2 2093/4885ALDH1A1 132/4885MAPK1 60/4885

“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.