SCHEMBL797403

SCHEMBL797403

CCCC[Zr](CCCC)(C1C(CC)=Cc2c(-c3cccc4ccccc34)cccc21)C(C)(C)[Zr](CCCC)(CCCC)C1C(CC)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
CNR1 P21554 2/20 0.32
TLR8 Q9NR97 1/20 0.31
ALOX15 P16050 2/20 0.31
HTR7 P34969 2/20 0.30
DPP4 P27487 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
DRD2 P14416 1/20 0.30
SLC6A4 P31645 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
SCHEMBL797801 0.88 CNR2 (0.33) CNR2CNR1TLR8ALOX15HTR7
SCHEMBL797680 0.86 CNR2 (0.34) CNR2CNR1TLR8ALOX15HTR7
SCHEMBL797082 0.85 BCHE (0.31)
SCHEMBL7607488 0.84 PPARG (0.31) CNR2HTR7HTR1AHTR2BTMEM97
SCHEMBL7599308 0.81 CNR2 (0.32) CNR2HTR7HTR1AHTR2BTMEM97
Hexane SCHEMBL8633532 0.81 TLR8 (0.36) CNR2CNR1TLR8ALOX15HTR7
SCHEMBL796945 0.80 CNR2 (0.30) CNR2HTR7DPP4
Hexane SCHEMBL8633297 0.80 TLR8 (0.35) CNR2CNR1TLR8ALOX15HTR7
SCHEMBL2522719 0.80 PTPN1 (0.33) CNR2ALOX15HTR7HTR1AHTR2B
Propane SCHEMBL8633041 0.77 SLC6A4 (0.32) HTR7HTR1AHTR2BTMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP disclosed
US-7901594-B2 Electroconductivity JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2011-03-08 US disclosed
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
US-6586554-B1 Polyarylene and method for production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-07-01 US disclosed
US-20030116755-A1 Polyacene derivatives and production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-06-26 US disclosed
EP-1262469-A1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-12-04 EP disclosed
EP-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 EP 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-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 CNR2 1020/4885CNR1 492/4885TLR8 3097/4885

“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.