SCHEMBL17829103

SCHEMBL17829103

c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc65)cc4)nc4c3ccc3ccccc34)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
AVPR1A P37288 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
HDAC4 P56524 1/20 0.33
OXTR P30559 1/20 0.32
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
IL1R1 P14778 1/20 0.30
MAOA P21397 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
SCHEMBL17829088 0.97 ATM (0.37) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828979 0.96 ATM (0.39) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17829102 0.94 L3MBTL1 (0.42) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828984 0.94 ATM (0.36) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828926 0.94 ATM (0.39) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828925 0.93 ATM (0.43) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828923 0.93 ATM (0.37) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828998 0.93 ATM (0.37) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17828817 0.93 ATM (0.38) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17829109 0.93 CYP1A1 (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.