SCHEMBL12637436

SCHEMBL12637436

CN(C)c1nc2c(-c3cccc4ccccc34)cccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALOX15 P16050 2/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35

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
SCHEMBL12637437 0.79 TOP2A (0.40) ALDH1A1KDM4EGAAHTR3AMAOB
SCHEMBL12637448 0.78 CYP1A2 (0.44) ALDH1A1HSD17B10TDP1ALOX15HTR3A
SCHEMBL12637440 0.78 GSTP1 (0.39) ALDH1A1HPGDHSD17B10KDM4EHTR3A
SCHEMBL12637442 0.77 TOP2A (0.38) ALDH1A1KDM4EMAPTGAATDP1
SCHEMBL28050387 0.76 ALOX15 (0.47) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL28396637 0.74 TOP2A (0.52) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL12637439 0.71 ENPP1 (0.41) ALDH1A1HPGDHSD17B10KDM4ETDP1
SCHEMBL12637460 0.70 HTR3A (0.32) HTR3A
SCHEMBL4837110 0.69 ENPP1 (0.50) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL12637424 0.68 MAPT (0.45) ALDH1A1HPGDHSD17B10KDM4EMAPT

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-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

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 ALDH1A1 1098/4885HPGD 3538/4885HSD17B10 3726/4885

“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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