SCHEMBL1881776

SCHEMBL1881776

FC(F)(F)c1ccc(-c2cccc3ocnc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.43
▸ TOP1 P11387 2/20 0.40
▸ KIT P10721 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ NR4A2 P43354 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ KIF11 P52732 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHUK O15111 1/20 0.37
▸ TXNRD1 Q16881 1/20 0.37
▸ NOX4 Q9NPH5 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ MET P08581 1/20 0.37
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL9467935 0.82 NR4A2 (0.44) ENPP1TOP1KITKDRNR4A2
SCHEMBL2169696 0.81 NR4A2 (0.38) ENPP1KITKDRNR4A2DHODH
SCHEMBL1881174 0.81 NR4A2 (0.37) ENPP1NR4A2DHODH
SCHEMBL12637425 0.80 NR4A2 (0.42) ENPP1NR4A2DHODHKDM4EALDH1A1
SCHEMBL1884974 0.80 NR4A2 (0.43) ENPP1NR4A2DHODHKDM4EALDH1A1
SCHEMBL12969981 0.79 NR4A2 (0.41) NR4A2DHODHCYP1A2CYP2C19KDM4E
SCHEMBL29349010 0.79 NR4A2 (0.41) KITKDRNR4A2DHODHCYP1A2
SCHEMBL25217314 0.78 KIF11 (0.42) TOP1KITKDRKIF11JAK2
SCHEMBL31135928 0.78 KIF11 (0.42) TOP1KITKDRKIF11JAK2
SCHEMBL1365239 0.77 NR4A2 (0.39) NR4A2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — US disclosed
WO-2007078182-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) 2007-07-12 — — WO 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-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SCO2, RPS4Y1, RER1 ENPP1 2859/4885TOP1 3732/4885KIT 923/4885

“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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