SCHEMBL25533490

SCHEMBL25533490

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)c4ccccc34)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRND Q07001 1/20 0.37
MCL1 Q07820 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR2C P28335 2/20 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
SCHEMBL25533606 0.96 ENPP3 (0.38) ENPP3ENPP1CHRNA1CHRNGCHRNB1
SCHEMBL25533493 0.95 ENPP3 (0.40) ENPP3ENPP1CHRNA1CHRNGCHRNB1
SCHEMBL25533708 0.95 ENPP3 (0.40) ENPP3ENPP1CHRNA1CHRNGCHRNB1
SCHEMBL25533779 0.95 ENPP3 (0.39) ENPP3ENPP1CHRNA1CHRNGCHRNB1
SCHEMBL17152040 0.95 ENPP1 (0.42) ENPP3ENPP1CHRNA1CHRNGCHRNB1
SCHEMBL17152058 0.95 ENPP1 (0.42) ENPP3ENPP1CHRNA1CHRNGCHRNB1
SCHEMBL25533724 0.94 ENPP3 (0.39) ENPP3ENPP1CHRNA1CHRNGCHRNB1
SCHEMBL25533719 0.93 PIM1 (0.43) ENPP3ENPP1CHRNA1CHRNGCHRNB1
SCHEMBL25533495 0.93 PIM1 (0.43) ENPP3ENPP1CHRNA1CHRNGCHRNB1
SCHEMBL25533592 0.93 ENPP3 (0.38) ENPP3ENPP1CHRNA1CHRNGCHRNB1

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-20230167072-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-01 US disclosed
US-20230167072-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-01 US 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-20230167072-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE PIEZO1, LEF1, L1CAM ENPP3 1183/4885ENPP1 408/4885CHRNA1 2326/4885

“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.