SCHEMBL680229

SCHEMBL680229

CCC(C)COc1cc2c(cc1OCC(C)CC)C1(c3cc(Br)ccc3-c3ccc(Br)cc31)c1cc(OCC(C)CC)c(OCC(C)CC)cc1-2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
MCHR1 Q99705 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
IGF1R P08069 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL13198868 1.00 TLR8 (0.36) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL11957248 0.94 TLR8 (0.33) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL13376510 0.93 TLR8 (0.32) TLR8MCHR1
SCHEMBL14441622 0.93 TLR8 (0.32) TLR8MCHR1
SCHEMBL13595440 0.88 BACE1 (0.33) GAA
SCHEMBL13326313 0.87 TLR8 (0.33) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL13595416 0.87 TLR8 (0.31) TLR8MCHR1AAK1
SCHEMBL20198338 0.87 TLR8 (0.31) TLR8MCHR1
SCHEMBL679086 0.87 TUBB4A (0.34) TLR8IGF1R
SCHEMBL13816600 0.86 TLR8 (0.34) TLR8MCHR1PDE4APDE4BPDE4C

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264720-A1 METHOD FOR THE PRODUCTION OF POLYMERS MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160264720-A1 METHOD FOR THE PRODUCTION OF POLYMERS MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-9415370-B2 Method for the production of polymers MERCK PATENT GMBH (DE) 2016-08-16 US disclosed
US-9415370-B2 Method for the production of polymers MERCK PATENT GMBH (DE) 2016-08-16 US disclosed
EP-2273512-B1 Conjugated polymers comprising triarylamine-arylenevinylene units, synthesis and use of the same MERCK PATENT GMBH (DE) 2016-07-20 EP disclosed
US-8679644-B2 Electroluminescent polymers containing planar arylamine units, the preparation and use thereof MERCK PATENT GMBH (DE) 2014-03-25 US disclosed
US-8679644-B2 Electroluminescent polymers containing planar arylamine units, the preparation and use thereof MERCK PATENT GMBH (DE) 2014-03-25 US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-8053547-B2 Conjugated polymers and blends containing carbazole, representation and use thereof MERCK PATENT GMBH (DE) 2011-11-08 US disclosed
US-20060058524-A1 Method for the production of aryl-aryl coupled compounds COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2006-03-16 US disclosed
EP-1537161-A1 METHOD FOR THE PRODUCTION OF ARYL-ARYL COUPLED COMPOUNDS Covion Organic Semiconductors GmbH (DE) 2005-06-08 EP disclosed
US-20050038223-A1 Conjugated polymers containing spirobifluorene units and the use thereof MERCK PATENT GMBH (DE) 2005-02-17 US disclosed
EP-1381639-B1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS (DE) 2004-09-08 EP disclosed
US-20040135131-A1 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2004-07-15 US disclosed
EP-1427768-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-06-16 EP disclosed
WO-2004022626-A1 METHOD FOR THE PRODUCTION OF ARYL-ARYL COUPLED COMPOUNDS COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2004-03-18 WO disclosed
EP-1381639-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-01-21 EP disclosed
WO-2003020790-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-03-13 WO disclosed
WO-2002077060-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2002-10-03 WO 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-20060058524-A1 Method for the production of aryl-aryl coupled compounds TYR, AHR, ARSA TLR8 4182/4885MCHR1 2422/4885PDE4A 3221/4885

“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.