SCHEMBL822873

SCHEMBL822873

c1ccc(-c2nc3ccccc3n2-c2ccc3c(c2)-c2cc(-n4c(-c5ccccc5)nc5ccccc54)ccc2C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.59
ESR1 P03372 2/20 0.59
GRIA1 P42261 1/20 0.48
CACNG8 Q8WXS5 1/20 0.48
CACNG2 Q9Y698 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
PTGS2 P35354 1/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
PDE6D O43924 1/20 0.41
ALDH2 P05091 1/20 0.41

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
SCHEMBL822881 0.94 ESR2 (0.53) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL9920547 0.91 ESR2 (0.50) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL822782 0.86 ESR2 (0.45) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL17380905 0.84 ESR2 (0.64) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL10041260 0.81 ESR1 (0.67) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL24648267 0.80 ESR2 (0.56) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL20091329 0.80 ESR1 (0.66) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL23266694 0.80 ESR1 (0.58) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL19535038 0.79 ESR1 (0.46) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL822814 0.79 ALDH1A1 (0.53) KMT2AMAPK1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 ESR2 2554/4885ESR1 2751/4885GRIA1 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.