SCHEMBL4420240

SCHEMBL4420240

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.34
MCHR1 Q99705 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
IGF1R P08069 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
SCHEMBL1155842 0.94 TLR8 (0.36) TLR8MCHR1IGF1R
SCHEMBL2784756 0.89
SCHEMBL4546505 0.82 TLR8 (0.36) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL12595641 0.82 TLR8 (0.36) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL680229 0.81 TLR8 (0.36) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL6923222 0.81 TLR8 (0.36) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL13198868 0.81 TLR8 (0.36) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL6825504 0.80 TLR8 (0.43) TLR8MCHR1PDE4APDE4BPDE4C
SCHEMBL6131641 0.80 GPR88 (0.32)
SCHEMBL2764804 0.80 TLR8 (0.40) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638594-B2 Conjugated polymers containing spirobifluorene units and the use thereof MERCK PATENT GMBH (DE) 2009-12-29 US disclosed
US-7323533-B2 Conjugated polymers containing spirobifluorene units and the use thereof COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2008-01-29 US disclosed
US-20070265473-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-11-15 US disclosed
US-7288617-B2 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2007-10-30 US disclosed
US-20050038223-A1 Conjugated polymers containing spirobifluorene units and the use thereof MERCK PATENT GMBH (DE) 2005-02-17 US 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-2003020790-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-03-13 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-20070265473-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF ALDH1A2, SELE, PPOX TLR8 996/4885MCHR1 2958/4885PDE4A 4402/4885

“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.