SCHEMBL19797296

SCHEMBL19797296

Brc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc3ccccc3cc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.53
CYP2A6 P11509 1/20 0.44
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPRC P08575 1/20 0.38
LMNA P02545 1/20 0.38
OPRK1 P41145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL19822248 1.00 PDK2 (0.53) PDK2CYP2A6KDM4EMAPTMEN1
SCHEMBL30366323 1.00 PDK2 (0.53) PDK2CYP2A6KDM4EMAPTMEN1
SCHEMBL19395208 0.98 PDK2 (0.51) PDK2CYP2A6KDM4EMAPTMEN1
SCHEMBL19395214 0.98 PDK2 (0.51) PDK2CYP2A6KDM4EMAPTMEN1
SCHEMBL20225279 0.95 PDK2 (0.49) PDK2CYP2A6KDM4EMAPTMEN1
SCHEMBL19797297 0.93 PDK2 (0.45) PDK2CYP2A6KDM4EMAPTMEN1
SCHEMBL25648741 0.93 PDK2 (0.45) PDK2CYP2A6KDM4EMAPTMEN1
SCHEMBL22688532 0.90 CYP2A6 (0.48) PDK2CYP2A6KDM4EMAPTMEN1
SCHEMBL14073381 0.89 PDK2 (0.54) PDK2CYP2A6KDM4EMAPTMEN1
SCHEMBL783450 0.89 PDK2 (0.58) PDK2CYP2A6KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3744155-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-11-02 EP disclosed
US-20210111351-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-15 US disclosed
WO-2021043755-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-11 WO disclosed
WO-2019233904-A1 ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2019-12-12 WO disclosed
WO-2019145316-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed
US-20180026187-A1 NOVEL COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD. (KR) 2018-01-25 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-20180026187-A1 NOVEL COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE COMPRISING SAME EBPL, OR51E2, EML4 PDK2 1847/4885CYP2A6 3379/4885KDM4E 1089/4885
US-20210111351-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM PDK2 970/4885CYP2A6 2490/4885KDM4E 1917/4885

“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.