SCHEMBL782757

SCHEMBL782757

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5cccc(C(=O)c6cccc(-c7cccc(-n8c9ccccc9c9cc%10c(cc98)C(C)(C)c8ccccc8-%10)c7)c6)c5)c4)c3cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ ASH1L Q9NR48 4/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ MYC P01106 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSPA1A P0DMV8 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ NR4A1 P22736 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
SCHEMBL783103 0.98 CNR2 (0.36) PDK2CNR1CNR2KDM4EALDH1A1
SCHEMBL2603611 0.95 CNR2 (0.37) PDK2CNR1CNR2KDM4EALDH1A1
SCHEMBL2603601 0.93 CNR2 (0.38) PDK2CNR1CNR2KDM4EALDH1A1
SCHEMBL15946308 0.90 KDM4E (0.38) KDM4EL3MBTL1ATMPGR
SCHEMBL803073 0.90 KDM4E (0.38) KDM4EL3MBTL1ATMPGR
SCHEMBL782376 0.89 TUBB4A (0.34) PDK2ALDH1A1USP2HSD17B10
SCHEMBL22011973 0.88 ATM (0.40) PDK2KDM4EALDH1A1PKML3MBTL1
SCHEMBL12455989 0.88 PDK2 (0.33) PDK2CNR2KDM4EALDH1A1PKM
SCHEMBL782532 0.88 PDK2 (0.37) PDK2CNR1CNR2KDM4EALDH1A1
SCHEMBL24679007 0.87 ATM (0.39) PDK2KDM4EALDH1A1PKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2695213-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2019-11-13 — — EP disclosed
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 — — US disclosed
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 — — US disclosed
US-9385335-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-07-05 — — US disclosed
US-9385335-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-07-05 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 — — US disclosed
US-20140014940-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2014-01-16 — — US disclosed
US-20140014940-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2014-01-16 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 — — 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 (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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 PDK2 2085/4885CNR1 3187/4885CNR2 2640/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 PDK2 2085/4885CNR1 3187/4885CNR2 2640/4885

“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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