SCHEMBL783272

SCHEMBL783272

CC(C)(C)OC(=O)n1c2ccc(-c3cccc4c3C(C)(C)c3cc5c(cc3-4)c3ccccc3n5-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ NR1H2 P55055 13/20 0.33
▸ NR1H3 Q13133 2/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ PTGER4 P35408 2/20 0.32
▸ MAP2K4 P45985 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 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
SCHEMBL802092 0.92 ABCG2 (0.35) ABCG2NR1H2NR1H3GABRG2GABRB3
SCHEMBL782439 0.90 PTGER4 (0.33) PTGER4
SCHEMBL783271 0.90 ABCG2 (0.34) ABCG2NR1H2NR1H3ABCB1PTGER4
SCHEMBL782219 0.88 ABCG2 (0.37) ABCG2NR1H2NR1H3GABRG2GABRB3
SCHEMBL782642 0.85 PTGER4 (0.35) PTGER4
SCHEMBL782312 0.81 CCNB2 (0.40) NR1H2NR1H3GABRG2GABRB3GABRA5
SCHEMBL782269 0.80 — —
SCHEMBL30021551 0.80 MEN1 (0.33) —
SCHEMBL802103 0.80 MEN1 (0.33) —
SCHEMBL16521268 0.80 MEN1 (0.33) —

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 3957/4885NR1H3 3385/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 ABCG2 546/4885NR1H2 3957/4885NR1H3 3385/4885

“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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