SCHEMBL4546987

SCHEMBL4546987

Cc1cc(C)cc(-c2ccc(-c3cc(-c4cccc(C)c4)nc(-c4cccc(C)c4)c3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.51
XDH P47989 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
IDO1 P14902 1/20 0.47
METAP2 P50579 1/20 0.47
ACHE P22303 2/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
BCHE P06276 1/20 0.44
KMO O15229 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL12973145 0.94 XDH (0.50) ENPP3XDHMEN1KMT2AIDO1
SCHEMBL4546880 0.94 ENPP3 (0.57) ENPP3XDHMEN1KMT2AIDO1
SCHEMBL4546869 0.93 MEN1 (0.50) ENPP3XDHMEN1KMT2AIDO1
SCHEMBL4546983 0.92 ENPP3 (0.56) ENPP3XDHMEN1KMT2AIDO1
SCHEMBL4546979 0.92 MEN1 (0.57) ENPP3XDHMEN1KMT2AIDO1
SCHEMBL4546976 0.92 MEN1 (0.57) ENPP3XDHMEN1KMT2AIDO1
SCHEMBL4546978 0.91 MEN1 (0.56) ENPP3XDHMEN1KMT2AIDO1
SCHEMBL4546963 0.91 MEN1 (0.56) ENPP3XDHMEN1KMT2AIDO1
SCHEMBL16376453 0.91 MEN1 (0.60) ENPP3XDHMEN1KMT2AIDO1
SCHEMBL16376454 0.91 MEN1 (0.60) ENPP3XDHMEN1KMT2AIDO1

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 ENPP3 3213/4885XDH 347/4885MEN1 1984/4885
US-20090230846-A1 MONOAMINE COMPOUND, CHARGE-TRANSPORTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE SLC7A5, SLC18A1, MAOA ENPP3 3276/4885XDH 214/4885MEN1 2206/4885

“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.