SCHEMBL25985458

SCHEMBL25985458

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5cccnc5)cc4)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.55
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP11B2 P19099 5/20 0.52
CYP11B1 P15538 4/20 0.52
CYP17A1 P05093 3/20 0.51
MAPT P10636 4/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DHODH Q02127 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.49
NTSR1 P30989 1/20 0.49
MCL1 Q07820 1/20 0.48
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL21882447 0.91 MAPT (0.55) CYP19A1CYP11B2CYP11B1CYP17A1MAPT
SCHEMBL24527291 0.91 CYP19A1 (0.66) CYP19A1CYP11B2CYP11B1CYP17A1MAPT
SCHEMBL17945297 0.91 CYP19A1 (0.66) CYP19A1CYP11B2CYP11B1CYP17A1MAPT
SCHEMBL19638034 0.91 CYP19A1 (0.66) CYP19A1CYP11B2CYP11B1CYP17A1MAPT
SCHEMBL25985506 0.90 CYP11B2 (0.53) CYP19A1CYP11B2CYP11B1CYP17A1MAPT
SCHEMBL25985498 0.90 CYP11B2 (0.53) CYP19A1CYP11B2CYP11B1CYP17A1MAPT
SCHEMBL28674039 0.88 CYP19A1 (0.67) CYP19A1CYP11B2CYP11B1CYP17A1MAPT
SCHEMBL21623613 0.88 CYP19A1 (0.71) CYP19A1CYP11B2CYP11B1CYP17A1MAPT
SCHEMBL24590289 0.88 CYP19A1 (0.71) CYP19A1CYP11B2CYP11B1CYP17A1MAPT
SCHEMBL21882438 0.87 MAPK1 (0.66) MAPK1TDP1MAPTNPSR1MAOA

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 CYP19A1 366/4885MAPK1 4091/4885TDP1 3773/4885

“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.