SCHEMBL280035

SCHEMBL280035

c1cc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-c2nc3ccccc3n2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ GRIA1 P42261 1/20 0.41
▸ CACNG8 Q8WXS5 1/20 0.41
▸ CACNG2 Q9Y698 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RPS6KB1 P23443 5/20 0.39
▸ MAPK10 P53779 4/20 0.39
▸ GSK3B P49841 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL280272 0.94 ESR1 (0.48) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL822745 0.94 ESR1 (0.54) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL15446503 0.93 ESR1 (0.47) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL14867891 0.92 ESR1 (0.52) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17166755 0.91 PTGER4 (0.43) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL15446697 0.90 ESR1 (0.48) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL15446590 0.89 ESR1 (0.52) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL280446 0.88 ESR1 (0.53) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL15446581 0.87 ESR1 (0.47) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL15446495 0.87 PTGER4 (0.38) ESR1ESR2HDAC1HDAC8HDAC6

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 5 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-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
WO-2012004765-A2 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 — — 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 (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 ESR1 2751/4885ESR2 2554/4885HDAC1 3565/4885

“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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