SCHEMBL21480554

SCHEMBL21480554

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)nc(-c4cc5ccccc5s4)n3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
NQO1 P15559 1/20 0.43
NQO2 P16083 1/20 0.43
KDM1A O60341 1/20 0.43
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
HDAC2 Q92769 1/20 0.38
ERN1 O75460 1/20 0.38
CYP19A1 P11511 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ACLY P53396 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL21480557 0.99 APP (0.50) APPNQO1NQO2KDM1AHSD17B1
SCHEMBL21476262 0.97 APP (0.47) APPNQO1NQO2KDM1AHSD17B1
SCHEMBL23334906 0.95 APP (0.48) APPNQO1NQO2KDM1AHSD17B1
SCHEMBL21480556 0.95 APP (0.48) APPNQO1NQO2KDM1AHSD17B1
SCHEMBL21480531 0.95 APP (0.48) APPNQO1NQO2KDM1AHSD17B1
SCHEMBL21476263 0.94 APP (0.45) APPNQO1NQO2KDM1AHSD17B1
SCHEMBL21480535 0.94 APP (0.47) APPNQO1NQO2KDM1AHSD17B1
SCHEMBL23334910 0.92 APP (0.43) APPNQO1NQO2KDM1AHSD17B1
SCHEMBL21480555 0.92 APP (0.44) APPNQO1NQO2KDM1AHSD17B1
SCHEMBL21557078 0.92 APP (0.47) APPNQO1NQO2KDM1AHSD17B1

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-20210130336-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2021-05-06 US disclosed
WO-2019198806-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2019-10-17 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-20210130336-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, MLX, LEF1 APP 1692/4885NQO1 1550/4885NQO2 3126/4885

“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.