SCHEMBL21476439

SCHEMBL21476439

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5ccccc5s4)c3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.62
HSD17B2 P37059 1/20 0.62
APP P05067 2/20 0.60
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ERN1 O75460 2/20 0.46
CYP19A1 P11511 1/20 0.46
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
HDAC2 Q92769 1/20 0.45
ACLY P53396 1/20 0.41
S1PR1 P21453 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TNFRSF1A P19438 1/20 0.39
NQO1 P15559 1/20 0.39
NQO2 P16083 1/20 0.39

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
SCHEMBL22214692 0.98 HSD17B1 (0.65) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL21557143 0.93 APP (0.56) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL21476763 0.93 APP (0.69) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL21557136 0.92 HSD17B1 (0.56) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL21476289 0.92 APP (0.67) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL18646845 0.89 APP (0.55) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL21476765 0.88 APP (0.56) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL27631114 0.88 HSD17B1 (0.77) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL21550467 0.86 HSD17B1 (0.51) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL31008453 0.86 HSD17B1 (0.51) HSD17B1HSD17B2APPESR1ESR2

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 HSD17B1 3972/4885HSD17B2 3741/4885APP 1692/4885

“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.