SCHEMBL10054059

SCHEMBL10054059

c1ccc(Oc2ccc(-c3cc(-c4ccc(Oc5ccccc5)cc4)cc(C4(c5cc(-c6ccc(Oc7ccccc7)cc6)cc(-c6ccc(Oc7ccccc7)cc6)c5)c5ccccc5-c5ccccc54)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.46
PDK2 Q15119 3/20 0.46
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 4/20 0.39
LTA4H P09960 3/20 0.39
TSHR P16473 1/20 0.39
MAOA P21397 4/20 0.38
MAOB P27338 3/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
NR1H2 P55055 1/20 0.36
BAX Q07812 1/20 0.36
ERN1 O75460 1/20 0.36
ADORA1 P30542 1/20 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
SCHEMBL1167923 0.84 MEN1 (0.48) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL19020415 0.84 MEN1 (0.48) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL10054153 0.84 PDK2 (0.52) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL22580553 0.83 MEN1 (0.57) GSTP1PDK2KDM4EMEN1LMNA
SCHEMBL25710612 0.79 MEN1 (0.57) GSTP1PDK2KDM4EMEN1LMNA
SCHEMBL26580911 0.79 PDK2 (0.54) GSTP1PDK2MEN1LMNAMAPT
SCHEMBL20976008 0.78 LTA4H (0.50) GSTP1PDK2KDM4EMEN1LMNA
SCHEMBL10053596 0.78 PDK2 (0.50) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL2605971 0.77 MEN1 (0.40) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL15081123 0.77 MEN1 (0.40) PDK2KDM4EMEN1LMNAMAPT

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 7 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
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
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 US disclosed
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 GSTP1 2603/4885PDK2 2382/4885KDM4E 1747/4885

“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.