SCHEMBL21476517

SCHEMBL21476517

c1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)cc3)nc(-c3cc4ccccc4s3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
KDM1A O60341 1/20 0.39
NQO1 P15559 1/20 0.39
NQO2 P16083 1/20 0.39
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
S1PR1 P21453 1/20 0.36
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC2 Q92769 1/20 0.35
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
ERN1 O75460 1/20 0.34
CYP19A1 P11511 1/20 0.34
ACLY P53396 1/20 0.34
MAP3K8 P41279 1/20 0.34

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
SCHEMBL23334910 0.99 APP (0.43) APPKDM1ANQO1NQO2HSD17B1
SCHEMBL21480588 0.95 APP (0.43) APPKDM1ANQO1NQO2HSD17B1
SCHEMBL23334672 0.94 APP (0.39) APPKDM1ANQO1NQO2HSD17B1
SCHEMBL23334668 0.94 APP (0.42) APPKDM1ANQO1NQO2HSD17B1
SCHEMBL21480557 0.92 APP (0.50) APPKDM1ANQO1NQO2HSD17B1
SCHEMBL21480554 0.91 APP (0.49) APPKDM1ANQO1NQO2HSD17B1
SCHEMBL21476913 0.90 APP (0.50) APPKDM1ANQO1NQO2HSD17B1
SCHEMBL23335189 0.89 APP (0.41) APPKDM1ANQO1NQO2HSD17B1
SCHEMBL21476262 0.88 APP (0.47) APPKDM1ANQO1NQO2HSD17B1
SCHEMBL21476263 0.88 APP (0.45) APPKDM1ANQO1NQO2HSD17B1

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 1692/4885KDM1A 1740/4885NQO1 1550/4885

“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.