SCHEMBL17829042

SCHEMBL17829042

c1ccc(-n2c3ccccc3c3c(-c4cccc5c4c4ccccc4n5-c4ccc(-c5nc(-n6c7ccccc7c7c(-c8cccc9c8c8ccccc8n9-c8ccccc8)cccc76)c6ccc7ccccc7c6n5)cc4)cccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ABCG2 Q9UNQ0 3/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL17828821 0.98 KDM4E (0.37) CYP1A1CYP1A2CYP1B1KDM4EATM
SCHEMBL17829034 0.94 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1KDM4EATM
SCHEMBL17828832 0.94 KDM4E (0.34) CYP1A1CYP1A2CYP1B1KDM4EATM
SCHEMBL17829032 0.93 KDM4E (0.33) CYP1A1CYP1A2CYP1B1KDM4EATM
SCHEMBL17828812 0.92 KDM4E (0.35) CYP1A1CYP1A2CYP1B1KDM4EATM
SCHEMBL17828829 0.92 KDM4E (0.34) CYP1A1CYP1A2CYP1B1KDM4EATM
SCHEMBL17828876 0.91 KDM4E (0.35) CYP1A1CYP1A2CYP1B1KDM4EATM
SCHEMBL17829036 0.89 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1KDM4EATM
SCHEMBL17828730 0.88 ABCG2 (0.43) CYP1A2ABCG2ALDH1A1TP53TSHR
SCHEMBL17828840 0.88 KDM4E (0.34) CYP1A1CYP1A2CYP1B1KDM4EATM

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 CYP1A1 829/4885CYP1A2 1870/4885CYP1B1 993/4885

“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.