SCHEMBL30141493

SCHEMBL30141493

Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c1ccc1ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
DNMT1 P26358 1/20 0.37
CYP2A6 P11509 2/20 0.37
PTPRC P08575 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 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
SCHEMBL19797292 1.00 PDK2 (0.42) PDK2DNMT1CYP2A6PTPRCHSP90AA1
SCHEMBL19822247 1.00 PDK2 (0.42) PDK2DNMT1CYP2A6PTPRCHSP90AA1
SCHEMBL19395207 0.99 PDK2 (0.41) PDK2DNMT1CYP2A6PTPRCHSP90AA1
SCHEMBL19395206 0.99 PDK2 (0.41) PDK2DNMT1CYP2A6PTPRCHSP90AA1
SCHEMBL21636150 0.94 PDK2 (0.38) PDK2DNMT1CYP2A6ALDH1A1MEN1
SCHEMBL19683805 0.93 CYP2A6 (0.38) PDK2DNMT1CYP2A6PTPRCHSP90AA1
SCHEMBL19886967 0.92 PDK2 (0.38) PDK2DNMT1CYP2A6PTPRCHSP90AA1
SCHEMBL19395205 0.91 DNMT1 (0.37) PDK2DNMT1CYP2A6PTPRCHSP90AA1
SCHEMBL19797294 0.91 CYP2A6 (0.39) PDK2DNMT1CYP2A6PTPRCHSP90AA1
SCHEMBL19797283 0.89 PDK2 (0.35) PDK2DNMT1HSP90AA1HSP90AB1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240284792-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-08-22 US disclosed
CN-118475566-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2024-08-09 CN disclosed
WO-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed
WO-2023017861-A1 COMPOSITION, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-02-16 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-20240284792-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, AND ELECTRONIC DEVICE AR, DRD1, CTNNA1 PDK2 3093/4885DNMT1 3771/4885CYP2A6 641/4885

“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.