SCHEMBL20733739

SCHEMBL20733739

CC1(C)c2ccccc2-c2ccc(-c3nnc4c5cccnc5c5ccccc5c4n3)cc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.34
CCR1 P32246 2/20 0.33
CCR8 P51685 2/20 0.33
ALDH1A1 P00352 2/20 0.33
COMT P21964 1/20 0.32
TOP1 P11387 3/20 0.32
DHODH Q02127 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL20733783 0.86 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL9976732 0.80 COMT (0.39) PDK2CCR1CCR8COMTL3MBTL1
SCHEMBL21351339 0.79 PDK2 (0.33) PDK2
SCHEMBL30601319 0.78 PDK2 (0.44) PDK2
SCHEMBL28547043 0.78 PDK2 (0.44) PDK2
SCHEMBL14478625 0.78 PDK2 (0.35) PDK2CCR1CCR8ALDH1A1COMT
SCHEMBL9976762 0.77 COMT (0.39) PDK2COMTTOP1
SCHEMBL20733789 0.77 ALDH1A1 (0.41) CCR1CCR8ALDH1A1TOP1L3MBTL1
SCHEMBL20733790 0.77 ALDH1A1 (0.41) CCR1CCR8ALDH1A1TOP1L3MBTL1
SCHEMBL21841146 0.77 PDK2 (0.34) PDK2CCR1CCR8ALDH1A1

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-20230057590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2023-02-23 US disclosed
US-20190051842-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-02-14 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 (2 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-20230057590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OXER1 PDK2 1575/4885CCR1 3521/4885CCR8 3486/4885
US-20190051842-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OXER1 PDK2 1575/4885CCR1 3521/4885CCR8 3486/4885

“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.