SCHEMBL18823213

SCHEMBL18823213

c1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccc(-c4ccc6c7cc8c(cc7n(-c7cccc9ccccc79)c6c4)c4ccccc4n8-c4cccc6ccccc46)cc3n5-c3cccc4ccccc34)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 4/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
GSR P00390 1/20 0.36
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1A P08908 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
SCHEMBL20149428 0.97 TDP1 (0.44) TDP1ALDH1A1PTGS1PTGS2CNR1
SCHEMBL20149469 0.95 TDP1 (0.41) TDP1ALDH1A1PTGS1PTGS2CNR1
SCHEMBL126285 0.92 ALDH1A1 (0.44) TDP1ALDH1A1PTGS1PTGS2CNR1
SCHEMBL23232353 0.91 HTR6 (0.40) TDP1ALDH1A1PTGS1PTGS2CNR1
SCHEMBL19769583 0.90 L3MBTL1 (0.47) TDP1ALDH1A1PTGS1PTGS2CNR1
SCHEMBL23008064 0.90 KDM4E (0.44) TDP1ALDH1A1PTGS1PTGS2CNR1
SCHEMBL19769584 0.90 L3MBTL1 (0.47) TDP1ALDH1A1PTGS1PTGS2CNR1
SCHEMBL12088908 0.90 POLB (0.42) TDP1ALDH1A1PTGS1PTGS2CNR1
SCHEMBL31139498 0.90 POLB (0.42) TDP1ALDH1A1PTGS1PTGS2CNR1
SCHEMBL20149433 0.89 L3MBTL1 (0.53) TDP1ALDH1A1PTGS1PTGS2CNR1

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-20170125700-A1 COMPOUND HAVING TETRAAZATRIPHENYLENE RING STRUCTURE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2017-05-04 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-20170125700-A1 COMPOUND HAVING TETRAAZATRIPHENYLENE RING STRUCTURE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE LEF1, TEAD1, LAGE3 TDP1 1154/4885ALDH1A1 157/4885PTGS1 1882/4885

“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.