SCHEMBL16475802

SCHEMBL16475802

c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6cccc7ccccc67)cc5)ccc43)nc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 1/20 0.39
ATM Q13315 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NPY5R Q15761 1/20 0.35
FLT3 P36888 1/20 0.34
BMX P51813 1/20 0.34
ADORA2A P29274 1/20 0.34
NUDT1 P36639 1/20 0.34

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
SCHEMBL15682593 0.97 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16404904 0.97 KDM4E (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20073095 0.94 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15682518 0.94 KDM4E (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19271521 0.92 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16475764 0.90 L3MBTL1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16404887 0.90 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16475806 0.90 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL14233347 0.90 PTGES (0.35) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16706364 0.89 L3MBTL1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1

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-9287512-B2 Organic electroluminescent compounds, layers and organic electroluminescent device using the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-03-15 US disclosed
US-20150357583-A1 Novel Organic Electroluminescent Compounds, Layers and Organic Electroluminescent Device Using The Same DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2015-12-10 US disclosed
US-20150357583-A1 Novel Organic Electroluminescent Compounds, Layers and Organic Electroluminescent Device Using The Same DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2015-12-10 US disclosed
US-20150171346-A1 Novel Organic Electroluminescent Compounds and Organic Electroluminescent Device Using The Same ROHM & HAAS ELECT MAT (KR) 2015-06-18 US disclosed
US-20150171346-A1 Novel Organic Electroluminescent Compounds and Organic Electroluminescent Device Using The Same ROHM & HAAS ELECT MAT (KR) 2015-06-18 US disclosed
US-20140107338-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Rohm, and Haas Electronic Materials Korea Ltd. (KR) 2014-04-17 US disclosed
US-20140107338-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Rohm, and Haas Electronic Materials Korea Ltd. (KR) 2014-04-17 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-20150171346-A1 Novel Organic Electroluminescent Compounds and Organic Electroluminescent Device Using The Same OR10J3, VDAC2, KCNN2 ALDH1A1 590/4885HPGD 2828/4885KDM4E 826/4885
US-20140107338-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME OR10J3, VDAC2, KCNN2 ALDH1A1 590/4885HPGD 2828/4885KDM4E 826/4885

“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.