SCHEMBL4401749

SCHEMBL4401749

Cc1cccc(-c2cc(-c3cccc(C)c3)cc(-c3cccc(-c4cccc(-c5cc(-c6cccc(C)c6)cc(-c6cccc(C)c6)c5)n4)n3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.49
RAB9A P51151 5/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KMO O15229 1/20 0.45
IDO1 P14902 1/20 0.44
METAP2 P50579 1/20 0.44
GRM5 P41594 1/20 0.43
NPC1 O15118 3/20 0.42
DHODH Q02127 1/20 0.42
KDM4E B2RXH2 1/20 0.42
XDH P47989 1/20 0.42
ACHE P22303 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
BCHE P06276 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4404664 0.94 KMO (0.50) ENPP3RAB9AMEN1KMT2AKMO
SCHEMBL4401764 0.90 IDO1 (0.53) ENPP3RAB9AMEN1KMT2AKMO
SCHEMBL4402813 0.88 ENPP3 (0.62) ENPP3RAB9AMEN1KMT2AKMO
SCHEMBL3629467 0.87 IDO1 (0.55) ENPP3RAB9AMEN1KMT2AKMO
SCHEMBL4546982 0.86 XDH (0.51) ENPP3RAB9AMEN1KMT2AKMO
SCHEMBL4546877 0.86 XDH (0.51) ENPP3RAB9AMEN1KMT2AKMO
SCHEMBL4546949 0.86 XDH (0.51) ENPP3RAB9AMEN1KMT2AKMO
SCHEMBL13203169 0.85 MEN1 (0.51) ENPP3RAB9AMEN1KMT2ANPC1
SCHEMBL4546947 0.85 MEN1 (0.51) ENPP3RAB9AMEN1KMT2AKMO
SCHEMBL4546867 0.83 XDH (0.53) ENPP3RAB9AMEN1KMT2AKMO

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 7 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-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-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 (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-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC25A21, SLCO2A1, OCIAD2 ENPP3 3963/4885RAB9A 1941/4885MEN1 1827/4885

“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.