SCHEMBL2606117

SCHEMBL2606117

Cc1ccc(N(c2ccc(C)cc2)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc(C3(c4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc(N(c5ccc(C)cc5)c5ccc(C)cc5)c4)c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PDK2 Q15119 6/20 0.36
▸ PTPRC P08575 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ NQO2 P16083 1/20 0.31
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL2606143 0.89 ESR1 (0.45) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL27783813 0.88 MEN1 (0.52) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL77376 0.88 MEN1 (0.52) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL12864081 0.88 MEN1 (0.43) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL2605962 0.86 MEN1 (0.44) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL27627790 0.85 MAPT (0.49) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL15828168 0.84 ESR1 (0.45) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL14594237 0.84 ESR1 (0.45) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL2605963 0.84 PDK2 (0.41) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL2606105 0.84 ESR1 (0.42) ESR1ESR2LMNAMEN1KMT2A

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 10 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-9434877-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-09-06 — — US 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
US-20120326141-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-12-27 — — US disclosed
US-20120326141-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-12-27 — — 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 ESR1 36/4885ESR2 198/4885LMNA 2309/4885

“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.

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