SCHEMBL16076433

SCHEMBL16076433

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c6ccccc6c6ccc(-c7ccccc7)cc6c5c4)c3cc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ GSK3B P49841 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
SCHEMBL14886397 0.99 TSPO (0.34) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL14886351 0.99 TSPO (0.34) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL14886240 0.97 KDM4E (0.37) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL14886329 0.97 PDK2 (0.32) TSPOPDK2
SCHEMBL14886343 0.97 PDK2 (0.32) TSPOPDK2
SCHEMBL16076416 0.97 PDK2 (0.33) TSPOPDK2
SCHEMBL14886238 0.96 KDM4E (0.33) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL14886337 0.96 KDM4E (0.33) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL14886302 0.96 KDM4E (0.33) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL16076389 0.96 KDM4E (0.32) KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3120396-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2021-06-02 — — EP disclosed
US-9978957-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-05-22 — — US disclosed
US-9978957-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-05-22 — — US disclosed
EP-2768808-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-15 — — EP disclosed
US-20170092875-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2017-03-30 — — US disclosed
US-20170092875-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2017-03-30 — — US disclosed
US-20170018722-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-01-19 — — US disclosed
US-20170018722-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-01-19 — — US disclosed
US-9515266-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-12-06 — — US disclosed
US-9515266-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-12-06 — — US disclosed
WO-2015139808-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2015-09-24 — — WO disclosed
US-20140275530-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-09-18 — — US disclosed
US-20140275530-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-09-18 — — 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-20170018722-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES EFNA1, TTI1, TERT KDM4E 2652/4885ATM 2760/4885L3MBTL1 1372/4885

“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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