SCHEMBL9890923

SCHEMBL9890923

COc1ccc2cc(-c3c4ccccc4c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc34)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP11B2 P19099 4/20 0.43
CYP11B1 P15538 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.42
CYP2A6 P11509 1/20 0.41
HSD17B1 P14061 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
SCHEMBL9890919 0.91 KDM4E (0.47) KDM4EMAPTL3MBTL1HTTALDH1A1
SCHEMBL9890882 0.90 MAPT (0.49) KDM4EMAPTL3MBTL1HTTALDH1A1
SCHEMBL9890931 0.88 KDM4E (0.44) KDM4EMAPTL3MBTL1HTTALDH1A1
SCHEMBL9890898 0.87 EDNRA (0.46) KDM4EMAPTL3MBTL1HTTALDH1A1
SCHEMBL124870 0.86 KDM4E (0.46) KDM4EL3MBTL1KMT2ACYP11B2CYP11B1
SCHEMBL9890921 0.84 KDM4E (0.41) KDM4EMAPTL3MBTL1HTTALDH1A1
SCHEMBL12400929 0.84 KDM4E (0.43) KDM4EMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL12571717 0.83 KDM4E (0.42) KDM4EL3MBTL1KMT2ACYP11B2CYP11B1
SCHEMBL2512519 0.82 CYP11B2 (0.51) KDM4EMAPTL3MBTL1HTTALDH1A1
SCHEMBL9890891 0.82 ALDH1A1 (0.42) KDM4EMAPTL3MBTL1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 US disclosed
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 US disclosed
US-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2012-06-07 US disclosed
US-8084146-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2011-12-27 US disclosed
US-8084146-B2 Light-emitting device material and light-emitting device TORAY INDUSTRIES, INC. (JP) 2011-12-27 US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 US disclosed
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 US disclosed
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 US disclosed
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device TORAY INDUSTRIES INC. (JP) 2007-10-25 US disclosed
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device TORAY INDUSTRIES INC. (JP) 2007-10-25 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-20120138907-A1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE CRY1, MMS19, CRY2 KDM4E 3391/4885MAPT 3320/4885L3MBTL1 167/4885
US-20070247063-A1 Light-Emitting Device Material and Light-Emitting Device CRY1, CRY2, ATXN10 KDM4E 3893/4885MAPT 4190/4885L3MBTL1 530/4885
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 KDM4E 1639/4885MAPT 2121/4885L3MBTL1 195/4885

“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.