SCHEMBL17828816

SCHEMBL17828816

c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cccc65)c4)nc4c3ccc3ccccc34)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HDAC4 P56524 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PDE10A Q9Y233 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 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
SCHEMBL17828823 0.99 ATM (0.34) KDM4EATML3MBTL1CYP1A1CYP1A2
SCHEMBL17828844 0.96 ATM (0.35) KDM4EATML3MBTL1CYP1A1CYP1A2
SCHEMBL17828887 0.95 KDM4E (0.33) KDM4EATML3MBTL1CYP1A1CYP1A2
SCHEMBL17828843 0.95 ATM (0.35) KDM4EATML3MBTL1CYP1A1CYP1A2
SCHEMBL17829075 0.95 ATM (0.35) KDM4EATML3MBTL1CYP1A1CYP1A2
SCHEMBL17828891 0.94 KDM4E (0.33) KDM4EATML3MBTL1CYP1A1CYP1A2
SCHEMBL17828825 0.94 ALDH1A1 (0.34) KDM4EATML3MBTL1CYP1A1CYP1A2
SCHEMBL17828848 0.94 ATM (0.33) KDM4EATML3MBTL1CYP1A1CYP1A2
SCHEMBL17828818 0.94 KDM4E (0.34) KDM4EATML3MBTL1CYP1A1CYP1A2
SCHEMBL17829057 0.93 KDM4E (0.33) KDM4EATML3MBTL1CYP1A1CYP1A2

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 KDM4E 2236/4885ATM 2921/4885L3MBTL1 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.