SCHEMBL4546940

SCHEMBL4546940

Cc1cccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(C)c5)c4)nc(-c4cccc(-c5cccc(C)c5)c4)n3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.68
NR1I3 Q14994 1/20 0.51
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ENPP3 O14638 1/20 0.49
IDO1 P14902 1/20 0.48
METAP2 P50579 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ACHE P22303 1/20 0.48
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 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
SCHEMBL4546968 0.98 RAB9A (0.70) RAB9ANR1I3NPC1SMN1; SMN2TP53
SCHEMBL3766697 0.95 RAB9A (0.73) RAB9ANR1I3NPC1SMN1; SMN2TP53
SCHEMBL17726137 0.94 RAB9A (0.61) RAB9ANR1I3NPC1SMN1; SMN2TP53
SCHEMBL4546941 0.94 RAB9A (0.61) RAB9ANR1I3NPC1SMN1; SMN2TP53
SCHEMBL18267902 0.94 RAB9A (0.61) RAB9ANR1I3NPC1SMN1; SMN2TP53
SCHEMBL4546931 0.94 RAB9A (0.61) RAB9ANR1I3NPC1SMN1; SMN2TP53
SCHEMBL15588093 0.94 RAB9A (0.61) RAB9ANR1I3NPC1SMN1; SMN2ENPP3
SCHEMBL4546973 0.94 RAB9A (0.61) RAB9ANR1I3NPC1SMN1; SMN2TP53
SCHEMBL4546951 0.93 RAB9A (0.60) RAB9ANR1I3NPC1SMN1; SMN2TP53
SCHEMBL20174195 0.92 RAB9A (0.59) RAB9ANR1I3NPC1SMN1; SMN2ENPP3

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-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-8178215-B2 Organic compound containing at least two carbazolyl-substituted phenyl structures; charge-transporting material and organic el element containing the compound PIONEER CORPORATION (JP) 2012-05-15 US disclosed
US-20090236973-A1 ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT PIONEER CORPORATION (JO) 2009-09-24 US disclosed
US-20090230846-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2009-09-17 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 (2 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-20090236973-A1 ORGANIC COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLCO4C1, SLCO2A1, SLCO2B1 RAB9A 1478/4885NR1I3 2288/4885NPC1 652/4885
US-20090230846-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE SLC7A5, SLC18A1, MAOA RAB9A 362/4885NR1I3 2164/4885NPC1 1424/4885

“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.