SCHEMBL21476765

SCHEMBL21476765

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4s3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.56
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
CYP19A1 P11511 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KDM1A O60341 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
ERN1 O75460 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
BCL2L1 Q07817 1/20 0.42

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
SCHEMBL21476277 0.96 APP (0.57) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21557143 0.95 APP (0.56) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21557136 0.93 HSD17B1 (0.56) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21557156 0.93 APP (0.50) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL31008503 0.92 APP (0.49) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21476444 0.92 APP (0.49) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL27441374 0.92 L3MBTL1 (0.59) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21476763 0.91 APP (0.69) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21541891 0.91 APP (0.51) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL30902582 0.91 APP (0.51) APPHSD17B1HSD17B2ESR1ESR2

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 1692/4885HSD17B1 3972/4885HSD17B2 3741/4885

“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.