SCHEMBL17828848

SCHEMBL17828848

c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6c(-c7cccc8c7c7ccccc7n8-c7ccccc7)cccc65)c4)nc4c3ccc3ccccc34)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC4 P56524 1/20 0.31
WHR1 P49842 1/20 0.30
PDE6D O43924 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL17828847 0.98 ATM (0.35) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17829040 0.96 KDM4E (0.35) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828850 0.95 CYP1A1 (0.37) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828816 0.94 KDM4E (0.33) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17829037 0.94 ALDH1A1 (0.33) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828826 0.94 CYP1A1 (0.38) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828887 0.93 KDM4E (0.33) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828823 0.93 ATM (0.34) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828819 0.93 ALDH1A1 (0.35) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828851 0.93 ALDH1A1 (0.37) ATMKDM4EL3MBTL1CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 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-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 ATM 2921/4885KDM4E 2236/4885L3MBTL1 271/4885

“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.