SCHEMBL13276281

SCHEMBL13276281

O=P(c1ccccc1)(c1ccccc1)n1cnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
EGLN3 Q9H6Z9 1/20 0.45
FDPS P14324 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GGPS1 O95749 1/20 0.43
TNF P01375 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH3A1 P30838 3/20 0.40
POLB P06746 2/20 0.40
NOD1 Q9Y239 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.39
APAF1 O14727 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6048138 0.78 TDP1 (0.46) HTTEGLN3FDPSTDP1GGPS1
SCHEMBL1078812 0.78 FDPS (0.53) HTTEGLN3FDPSTDP1GGPS1
SCHEMBL6048112 0.74 FDPS (0.42) HTTEGLN3FDPSTDP1GGPS1
SCHEMBL6048111 0.70 TDP1 (0.46) HTTFDPSTDP1GGPS1TNF
SCHEMBL15581237 0.70 HTT (0.67) HTTKMT2A
SCHEMBL13454376 0.67 FGFR1 (0.62) HTT
SCHEMBL30037074 0.67 KMT2A (0.44) HTTMEN1HPGDKMT2AL3MBTL1
SCHEMBL3673037 0.66 TDP1 (0.54) HTTEGLN3TDP1TNFCYP11B1
SCHEMBL15581238 0.66 HTT (0.66) HTTSMN1; SMN2
SCHEMBL7196401 0.65 TDP1 (0.58) HTTEGLN3TDP1TNFCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120261651-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND NOVEL ALCOHOL-SOLUBLE PHOSPHORESCENT MATERIAL DAIDEN CO., LTD. (JP) 2012-10-18 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-20120261651-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND NOVEL ALCOHOL-SOLUBLE PHOSPHORESCENT MATERIAL SELENOI, L1CAM, ADH1C HTT 4604/4885EGLN3 4805/4885FDPS 3070/4885

“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.