SCHEMBL21476882

SCHEMBL21476882

c1ccc(-c2ccc3cc(-c4nc(-c5ccc(-c6cc7ccccc7s6)cc5)nc(-c5ccccc5-c5ccccc5)n4)ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC2 Q92769 1/20 0.37
ERN1 O75460 1/20 0.37
CYP19A1 P11511 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
S1PR1 P21453 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL21480668 0.95 APP (0.52) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21480552 0.94 APP (0.44) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21476901 0.94 APP (0.56) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21480672 0.92 APP (0.58) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21476575 0.89 APP (0.46) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21480550 0.88 APP (0.49) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL18646845 0.88 APP (0.55) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21480602 0.86 APP (0.51) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21560717 0.86 APP (0.44) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21557160 0.86 APP (0.44) 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.