SCHEMBL804802

SCHEMBL804802

c1cc(-c2cccc(-n3c4ccccc4c4cccnc43)c2)cc(-c2ccc3sc4ccccc4c3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ FEN1 P39748 1/20 0.35
▸ PIM3 Q86V86 1/20 0.33
▸ KCNH2 Q12809 6/20 0.32
▸ PDE4A P27815 5/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GPR3 P46089 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ ROCK1 Q13464 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PTGIR P43119 1/20 0.31

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
SCHEMBL22139297 0.99 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19ACHEFEN1
SCHEMBL13172890 0.95 ALDH1A1 (0.34) ALDH1A1TSHRCYP2C19ACHEFEN1
SCHEMBL21453977 0.89 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19ACHEFEN1
SCHEMBL21453980 0.89 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19ACHEFEN1
SCHEMBL13172892 0.88 ALDH1A1 (0.34) ALDH1A1TSHRCYP2C19ACHEFEN1
SCHEMBL17706384 0.87 DDB1 (0.36) ALDH1A1TSHRCYP2C19PDE4BPDE4D
SCHEMBL804985 0.87 L3MBTL1 (0.43) ALDH1A1PIM3KDM4EATML3MBTL1
SCHEMBL15855180 0.87 L3MBTL1 (0.43) ALDH1A1PIM3KDM4EATML3MBTL1
SCHEMBL126318 0.87 L3MBTL1 (0.43) ALDH1A1PIM3KDM4EATML3MBTL1
SCHEMBL23626872 0.86 ACHE (0.33) ALDH1A1TSHRCYP2C19ACHEFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471008-B2 Material for organic electroluminescent element and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2013-06-25 — — US disclosed
US-8471008-B2 Material for organic electroluminescent element and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2013-06-25 — — US disclosed
US-20120068164-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-03-22 — — US disclosed
US-20120068164-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-03-22 — — US disclosed
US-8080658-B2 Material for organic electroluminescent element and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-12-20 — — US disclosed
US-8080658-B2 Material for organic electroluminescent element and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-12-20 — — US disclosed
US-7968213-B2 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-06-28 — — US disclosed
US-7968213-B2 Material for organic electroluminescence device and organic electroluminescence device utilizing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-06-28 — — US disclosed
US-20100295027-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-11-25 — — US disclosed
US-20100295027-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-11-25 — — US disclosed
US-20090030202-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-29 — — US disclosed
US-20090030202-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-29 — — US disclosed
US-20090017331-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 — — US disclosed
US-20090017331-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 — — 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 (3 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-20120068164-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME EMC2, L1CAM, EMC1 ALDH1A1 2798/4885TSHR 4737/4885CYP2C19 2445/4885
US-20090030202-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME EMC2, L1CAM, EMC1 ALDH1A1 2798/4885TSHR 4737/4885CYP2C19 2445/4885
US-20090017331-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME ICMT, ORAI2, ILK ALDH1A1 2264/4885TSHR 4786/4885CYP2C19 2135/4885

“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.

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