SCHEMBL783043

SCHEMBL783043

CC(C)(C)OC(=O)n1c2ccc(Br)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.52
▸ CCNB2 O95067 3/20 0.52
▸ CCNB1 P14635 3/20 0.52
▸ GSK3B P49841 3/20 0.52
▸ CCNB3 Q8WWL7 3/20 0.52
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ RORC P51449 2/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ NR1H2 P55055 6/20 0.35
▸ CAMK2D Q13557 1/20 0.34
▸ DNMT1 P26358 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33

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) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL12990317 0.88 CCNB2 (0.39) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL782826 0.85 DNMT1 (0.40) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL2788024 0.84 CDK1 (0.40) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL782219 0.82 ABCG2 (0.37) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL783455 0.82 PRMT5 (0.38) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL409607 0.80 CDK1 (0.54) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL782572 0.80 NR1H2 (0.36) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL783318 0.80 NR1H2 (0.36) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL802084 0.79 CDK1 (0.54) CDK1CCNB2CCNB1GSK3BCCNB3

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 CDK1 2210/4885CCNB2 1080/4885CCNB1 1009/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 CDK1 2210/4885CCNB2 1080/4885CCNB1 1009/4885

“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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