SCHEMBL797780

SCHEMBL797780

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
ALOX15 P16050 4/20 0.33
CNR1 P21554 2/20 0.32
TLR8 Q9NR97 1/20 0.31
HTR7 P34969 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
SCHEMBL797218 0.89 CNR2 (0.33) CNR2ALOX15
SCHEMBL797330 0.89 CNR2 (0.35) CNR2ALOX15CNR1TLR8HTR7
SCHEMBL796786 0.88 CNR2 (0.33) CNR2ALOX15CNR1
SCHEMBL797763 0.86 BCHE (0.30)
SCHEMBL138908 0.84 ALOX15 (0.31) ALOX15HTR7
SCHEMBL5704351 0.84 ALOX15 (0.31) ALOX15HTR7
SCHEMBL141781 0.80 CNR1 (0.34) CNR2ALOX15CNR1TLR8HTR7
SCHEMBL141430 0.79 CNR1 (0.38) CNR2ALOX15CNR1TLR8
SCHEMBL5890481 0.79 CNR1 (0.33) CNR2ALOX15CNR1TLR8
SCHEMBL3401090 0.79

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 1020/4885ALOX15 1987/4885CNR1 492/4885

“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.