SCHEMBL17829052

SCHEMBL17829052

c1ccc2c(c1)ccc1c(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
MAPT P10636 1/20 0.33
PTGER4 P35408 1/20 0.32
NPY5R Q15761 1/20 0.32
HDAC4 P56524 1/20 0.31
MAOA P21397 1/20 0.31
TLR8 Q9NR97 1/20 0.30
PTGES O14684 1/20 0.30
PDPK1 O15530 1/20 0.30
WHR1 P49842 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
SCHEMBL17828854 0.98 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1ATML3MBTL1
SCHEMBL17829093 0.98 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1ATML3MBTL1
SCHEMBL17828858 0.96 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1ATML3MBTL1
SCHEMBL17829092 0.94 CYP1A2 (0.39) CYP1A1CYP1A2CYP1B1ATML3MBTL1
SCHEMBL17829051 0.94 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1ATML3MBTL1
SCHEMBL17828855 0.94 CYP1A1 (0.37) CYP1A1CYP1A2CYP1B1ATML3MBTL1
SCHEMBL18213948 0.93 L3MBTL1 (0.42) CYP1A1CYP1A2CYP1B1ATML3MBTL1
SCHEMBL17829139 0.93 L3MBTL1 (0.42) CYP1A1CYP1A2CYP1B1ATML3MBTL1
SCHEMBL17828860 0.92 L3MBTL1 (0.41) CYP1A1CYP1A2CYP1B1ATML3MBTL1
SCHEMBL17829209 0.92 L3MBTL1 (0.41) CYP1A1CYP1A2CYP1B1ATML3MBTL1

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.