SCHEMBL782826

SCHEMBL782826

CC1(C)c2ccccc2-c2cc3c4cc(Br)ccc4n(C(=O)O)c3cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.40
▸ CDK1 P06493 5/20 0.37
▸ GSK3B P49841 5/20 0.37
▸ CCNB2 O95067 4/20 0.37
▸ CCNB1 P14635 4/20 0.37
▸ CCNB3 Q8WWL7 4/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ TSPO P30536 2/20 0.36
▸ ELANE P08246 2/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ BAZ2B Q9UIF8 1/20 0.33
▸ PRNP P04156 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NR2E3 Q9Y5X4 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ ALK Q9UM73 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
SCHEMBL783043 0.85 CDK1 (0.52) DNMT1CDK1GSK3BCCNB2CCNB1
SCHEMBL782285 0.83 PGR (0.35) DNMT1CDK1GSK3BCCNB2CCNB1
SCHEMBL30866249 0.83 PGR (0.35) DNMT1CDK1GSK3BCCNB2CCNB1
SCHEMBL783165 0.81 MEN1 (0.32) TSPOPDK2SRCRXFP1
SCHEMBL783169 0.80 PRMT5 (0.37) GSK3BEGFR
SCHEMBL782446 0.79 MDM2 (0.32) DNMT1CDK1GSK3BCCNB2CCNB1
SCHEMBL783189 0.79 PDK2 (0.38) PDK2
SCHEMBL8819147 0.78 PGR (0.35) DNMT1CDK1GSK3BCCNB2CCNB1
SCHEMBL782265 0.78 TSPO (0.36) TSPOPDK2
SCHEMBL14880687 0.77 GSK3B (0.30) CDK1GSK3BCCNB2CCNB1CCNB3

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 4 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-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-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 — — 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 (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 DNMT1 496/4885CDK1 2210/4885GSK3B 2430/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 DNMT1 496/4885CDK1 2210/4885GSK3B 2430/4885

“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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