SCHEMBL4546994

SCHEMBL4546994

Cc1cccc(-c2cccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4cccc(C)c4)n3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ENPP3 O14638 2/20 0.53
CYP19A1 P11511 1/20 0.47
DHODH Q02127 2/20 0.46
XDH P47989 1/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
KMO O15229 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL4546977 1.00 MEN1 (0.54) MEN1KMT2AENPP3CYP19A1DHODH
SCHEMBL4546995 1.00 MEN1 (0.54) MEN1KMT2AENPP3CYP19A1DHODH
SCHEMBL4546870 0.98 MEN1 (0.51) MEN1KMT2AENPP3CYP19A1DHODH
SCHEMBL4546881 0.98 MEN1 (0.51) MEN1KMT2AENPP3CYP19A1DHODH
SCHEMBL4546993 0.98 MEN1 (0.51) MEN1KMT2AENPP3CYP19A1DHODH
SCHEMBL4546952 0.98 MEN1 (0.51) MEN1KMT2AENPP3CYP19A1DHODH
SCHEMBL4546978 0.98 MEN1 (0.56) MEN1KMT2AENPP3CYP19A1DHODH
SCHEMBL4546984 0.98 MEN1 (0.51) MEN1KMT2AENPP3CYP19A1DHODH
SCHEMBL4546883 0.96 MEN1 (0.50) MEN1KMT2AENPP3CYP19A1DHODH
SCHEMBL4546950 0.96 MEN1 (0.53) MEN1KMT2AENPP3CYP19A1DHODH

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 MEN1 1984/4885KMT2A 1753/4885ENPP3 3213/4885
US-20090230846-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE SLC7A5, SLC18A1, MAOA MEN1 2206/4885KMT2A 982/4885ENPP3 3276/4885

“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.