SCHEMBL25985447

SCHEMBL25985447

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5cccc6nccnc56)cc4)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
MET P08581 1/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.37
GSTP1 P09211 1/20 0.37
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL21882414 0.84 ENPP1 (0.48) TOP1MAPTNCOA1NCOA3KDM4E
SCHEMBL2801515 0.82 TOP1 (0.53) TOP1METMAPTPOLBKDM4E
SCHEMBL21882471 0.80 ENPP1 (0.45) TOP1MAPTKDM4ELMNAGSTP1
SCHEMBL21882459 0.77 RIPK1 (0.43) TOP1MAPTKDM4ELMNAALDH1A1
SCHEMBL20220186 0.76 MAPK1 (0.55) ABCG2MAPTPOLBLMNAGSTP1
SCHEMBL21882442 0.75 CLK4 (0.55) ABCG2MAPTKDM4EALDH1A1CYP1A2
SCHEMBL22422764 0.75 TOP1 (0.44) TOP1METMAPTPOLBKDM4E
SCHEMBL21882470 0.75 PPARG (0.50) ABCG2MAPTKDM4EALDH1A1CYP1A2
SCHEMBL22414079 0.75 MAPK1 (0.53) ABCG2MAPTPOLBLMNAGSTP1
SCHEMBL21882437 0.75 MAPK1 (0.53) ABCG2MAPTPOLBLMNAGSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730009-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. 2023-08-15 US disclosed
US-11730009-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. 2023-08-15 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-11730009-B2 Compound and organic light-emitting element comprising same CRY2, CRY1, NR2E3 TOP1 3588/4885ABCG2 2891/4885MET 2218/4885

“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.