SCHEMBL822745

SCHEMBL822745

c1ccc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ GRIA1 P42261 1/20 0.44
▸ CACNG8 Q8WXS5 1/20 0.44
▸ CACNG2 Q9Y698 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ RPS6KB1 P23443 3/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ MAPT P10636 2/20 0.40

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
SCHEMBL14867891 0.98 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15446590 0.94 ESR1 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL280035 0.94 ESR1 (0.47) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15446697 0.93 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15930564 0.92 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL16118051 0.92 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15394178 0.91 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL280536 0.91 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15446581 0.91 ESR1 (0.47) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15446503 0.90 ESR1 (0.47) ESR1ESR2GRIA1CACNG8CACNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590967-B1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2019-05-15 — — EP disclosed
US-9315724-B2 Metal complexes comprising azabenzimidazole carbene ligands and the use thereof in OLEDs BASF SE (DE) 2016-04-19 — — US disclosed
US-9315724-B2 Metal complexes comprising azabenzimidazole carbene ligands and the use thereof in OLEDs BASF SE (DE) 2016-04-19 — — US disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 — — US disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 — — US disclosed
US-20120319050-A1 METAL COMPLEXES COMPRISING AZABENZIMIDAZOLE CARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2012-12-20 — — US disclosed
US-20120319050-A1 METAL COMPLEXES COMPRISING AZABENZIMIDAZOLE CARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2012-12-20 — — US disclosed
WO-2012172482-A1 METAL COMPLEXES COMPRISING AZABENZIMIDAZOLE CARBENE LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2012-12-20 — — WO disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 — — US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 — — 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-20120319050-A1 METAL COMPLEXES COMPRISING AZABENZIMIDAZOLE CARBENE LIGANDS AND THE USE THEREOF IN OLEDS OCIAD1, OCIAD2, OXA1L ESR1 969/4885ESR2 1439/4885GRIA1 712/4885
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 ESR1 2751/4885ESR2 2554/4885GRIA1 2106/4885

“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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