SCHEMBL783318

SCHEMBL783318

CC(C)(C)OC(=O)n1c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.36
▸ NR1H3 Q13133 5/20 0.36
▸ RXRA P19793 3/20 0.36
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ TBXAS1 P24557 1/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32

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
SCHEMBL782312 0.89 CCNB2 (0.40) NR1H2NR1H3RXRACCNB2CDK1
SCHEMBL782265 0.88 TSPO (0.36) PDK2TSPOPTGESTBXAS1PTGES2
SCHEMBL2788005 0.86 PDK2 (0.32) NR1H2NR1H3RXRAGABRG2GABRB3
SCHEMBL782219 0.84 ABCG2 (0.37) NR1H2NR1H3RXRACCNB2CDK1
SCHEMBL782572 0.83 NR1H2 (0.36) NR1H2NR1H3RXRACCNB2CDK1
SCHEMBL802092 0.82 ABCG2 (0.35) NR1H2NR1H3RXRACCNB2CDK1
SCHEMBL782648 0.81 PDK2 (0.32) PDK2TSPO
SCHEMBL803029 0.81 PDK2 (0.32) PDK2TSPO
SCHEMBL14960715 0.80 PDK2 (0.33) PDK2TSPO
SCHEMBL14960705 0.80 PGR (0.30) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 NR1H2 3957/4885NR1H3 3385/4885RXRA 3305/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 NR1H2 3957/4885NR1H3 3385/4885RXRA 3305/4885

“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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