SCHEMBL16159307

SCHEMBL16159307

c1cc(-c2ccc3c4ccc(-c5cccc(-c6ncco6)c5)cc4n(-c4cccc5ccccc45)c3c2)cc(-c2ncco2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.38
LTA4H P09960 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
BRD4 O60885 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 2/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
PIK3R2 O00459 4/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL16159832 0.94 LTA4H (0.41) HPGDSLTA4HPTGS1PTGS2BRD4
SCHEMBL16159880 0.91 CCNC (0.36) HPGDSLTA4HPTGS1PTGS2BRD4
SCHEMBL16159373 0.86 HPGDS (0.35) HPGDSLTA4HPTGS1PTGS2BRD4
SCHEMBL16159573 0.86 PTGS1 (0.35) HPGDSLTA4HPTGS1PTGS2BRD4
SCHEMBL16159306 0.83 HPGDS (0.44) HPGDSLTA4HBRD4ALDH1A1HPGD
SCHEMBL16512003 0.80 MAPT (0.40) ALDH1A1POLBHPGDNPC1MAPK1
SCHEMBL16512618 0.79 IRAK4 (0.40) ALDH1A1HPGDNPC1MAPK1SMN1; SMN2
SCHEMBL24478793 0.79 TDP1 (0.42) PTGS1PTGS2ALDH1A1POLBHPGD
SCHEMBL24478794 0.79 TDP1 (0.42) PTGS1PTGS2ALDH1A1POLBHPGD
SCHEMBL16159594 0.78 HPGDS (0.49) HPGDSLTA4HBRD4CCNCCDK8

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 HPGDS 4461/4885LTA4H 1673/4885PTGS1 3945/4885

“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.