SCHEMBL16159285

SCHEMBL16159285

c1cc(-c2ccc3cc(-c4cccc(-c5ncco5)c4)ccc3c2)cc(-c2ncco2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
HPGDS O60760 1/20 0.49
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
CYP17A1 P05093 2/20 0.40
CYP19A1 P11511 2/20 0.40
DYRK1A Q13627 2/20 0.39
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
ESR1 P03372 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
SCHEMBL26260185 0.91 LTA4H (0.55) LTA4HHPGDSCCNCCDK8CYP1A2
SCHEMBL16159608 0.90 HPGDS (0.46) LTA4HHPGDSCCNCCDK8CYP1A2
SCHEMBL16159319 0.89 HPGDS (0.55) LTA4HHPGDSCCNCCDK8BRD4
SCHEMBL3964365 0.89 HPGDS (0.58) LTA4HHPGDSCCNCCDK8BRD4
SCHEMBL16005483 0.87 LTA4H (0.57) LTA4HHPGDSCCNCCDK8CYP1A2
SCHEMBL16159831 0.87 LTA4H (0.56) LTA4HHPGDSCCNCCDK8CYP1A2
SCHEMBL2152660 0.85 HPGDS (0.61) LTA4HHPGDSHDAC4
SCHEMBL26260205 0.85 LTA4H (0.49) LTA4HHPGDSCCNCCDK8CYP1A2
SCHEMBL17704302 0.84 LTA4H (0.42) LTA4HHPGDSCCNCCDK8CYP1A2
SCHEMBL16159872 0.83 LTA4H (0.45) LTA4HHPGDSCCNCCDK8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 LTA4H 1673/4885HPGDS 4461/4885CCNC 707/4885

“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.