SCHEMBL4401764

SCHEMBL4401764

Cc1cccc(-c2cccc(-c3cccc(-c4cccc(C)c4)n3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
METAP2 P50579 1/20 0.53
KMO O15229 2/20 0.53
RAB9A P51151 4/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 1/20 0.50
XDH P47989 1/20 0.50
ACHE P22303 2/20 0.49
BCHE P06276 1/20 0.49
ENPP3 O14638 1/20 0.49
ATP4A P20648 2/20 0.46
ATP4B P51164 2/20 0.46
CCR1 P32246 1/20 0.46
CCR8 P51685 1/20 0.46
GRM5 P41594 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3629467 0.98 IDO1 (0.55) IDO1METAP2KMORAB9AMEN1
SCHEMBL4404664 0.96 KMO (0.50) IDO1METAP2KMORAB9AMEN1
SCHEMBL14825102 0.91 RAB9A (0.67) IDO1METAP2KMORAB9AMEN1
SCHEMBL4402813 0.90 ENPP3 (0.62) IDO1METAP2KMORAB9AMEN1
SCHEMBL4401749 0.90 ENPP3 (0.49) IDO1METAP2KMORAB9AMEN1
SCHEMBL14168765 0.88 CCR1 (0.56) IDO1METAP2KMORAB9AMEN1
SCHEMBL2757244 0.87 CCR1 (0.60) IDO1METAP2KMORAB9ANPC1
SCHEMBL12264968 0.86 RAB9A (0.54) IDO1METAP2KMORAB9ANPC1
SCHEMBL15460382 0.86 NPC1 (0.47) IDO1METAP2KMORAB9AMEN1
SCHEMBL4546867 0.84 XDH (0.53) IDO1METAP2KMORAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9640769-B2 Organic electric field light emitting element and production therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2017-05-02 US disclosed
US-20160233445-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2016-08-11 US disclosed
US-9365767-B2 Organic electric field light emitting element and production therefor MITSUBISHI CHEMICAL CORPORATION (JP) 2016-06-14 US disclosed
US-8877355-B2 Monoamine compound, charge-transporting material, and organic electroluminescent device MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-04 US disclosed
US-20130214263-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-22 US disclosed
US-8427046-B2 Monoamine compound, charge-transporting material, and organic electroluminescent device MITSUBISHI CHEMICAL CORPORATION (JP) 2013-04-23 US disclosed
US-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 US disclosed
US-20110215312-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2011-09-08 US disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 US disclosed
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2010-12-30 US disclosed
US-20090230846-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2009-09-17 US disclosed
US-20090066223-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-03-12 US disclosed
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-01-22 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 (3 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-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC25A21, SLCO2A1, OCIAD2 IDO1 2028/4885METAP2 4073/4885KMO 655/4885
US-20100327265-A1 BIPIRIDINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING THE SAME NFE2L2, SLC19A2, AOC2 IDO1 712/4885METAP2 1594/4885KMO 1601/4885
US-20090230846-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE SLC7A5, SLC18A1, MAOA IDO1 350/4885METAP2 1861/4885KMO 242/4885

“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.