SCHEMBL783271

SCHEMBL783271

CC(C)(C)OC(=O)n1c2ccc(-c3c4c(cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c35)-c3ccccc3C4(C)C)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ NR1H2 P55055 12/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ PTGER4 P35408 3/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ NR1H3 Q13133 2/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ MAP2K4 P45985 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
SCHEMBL782438 0.90 PTGER4 (0.34) PTGER4
SCHEMBL783272 0.90 ABCG2 (0.35) ABCG2NR1H2PTGER4ABCB1NR1H3
SCHEMBL2786649 0.89 ABCG2 (0.31) ABCG2PTGER4
SCHEMBL802092 0.88 ABCG2 (0.35) ABCG2NR1H2NR1H3
SCHEMBL782219 0.87 ABCG2 (0.37) ABCG2NR1H2NR1H3
SCHEMBL782641 0.85 PTGER4 (0.34) PTGER4
SCHEMBL782268 0.81 — —
SCHEMBL782312 0.80 CCNB2 (0.40) NR1H2NR1H3PDK2
SCHEMBL782439 0.79 PTGER4 (0.33) PTGER4
SCHEMBL782572 0.78 NR1H2 (0.36) NR1H2NR1H3PDK2MAP2K4

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 ABCG2 546/4885NR1H2 3957/4885BRD4 992/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 ABCG2 546/4885NR1H2 3957/4885BRD4 992/4885

“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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