SCHEMBL10053636

SCHEMBL10053636

Cc1ccc2c(c1)C(c1cc(-c3ccccc3)cc(-c3ccccc3)c1)(c1cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c1)c1cc(C)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPRT1 P00492 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
SCHEMBL12864420 0.96 PDK2 (0.33) PDK2KDM4EALDH1A1L3MBTL1HPRT1
SCHEMBL2606146 0.96 PDK2 (0.35) PDK2KDM4EALDH1A1L3MBTL1HPRT1
SCHEMBL2606001 0.92 PDK2 (0.34) PDK2KDM4EALDH1A1L3MBTL1HPRT1
SCHEMBL2606055 0.92 PDK2 (0.39) PDK2KDM4EALDH1A1L3MBTL1
SCHEMBL10054080 0.88 KDM4E (0.33) PDK2KDM4EALDH1A1L3MBTL1
SCHEMBL12864426 0.86 PDK2 (0.32) PDK2KDM4EALDH1A1L3MBTL1
SCHEMBL2606149 0.85 KDM4E (0.38) PDK2KDM4EALDH1A1L3MBTL1
SCHEMBL12864359 0.84 PDK2 (0.38) PDK2KDM4EALDH1A1L3MBTL1
SCHEMBL11927557 0.83 PDK2 (0.37) PDK2KDM4EALDH1A1L3MBTL1HPRT1
SCHEMBL12864350 0.83 KDM4E (0.33) PDK2KDM4EALDH1A1L3MBTL1

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
WO-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 WO disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 US disclosed
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 EP disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 PDK2 2382/4885KDM4E 1747/4885ALDH1A1 2171/4885

“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.