SCHEMBL796714

SCHEMBL796714

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
ALOX15 P16050 5/20 0.34
CNR1 P21554 2/20 0.33
TLR8 Q9NR97 1/20 0.32
HTR7 P34969 1/20 0.31
SLC6A4 P31645 2/20 0.31
DRD2 P14416 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL797799 0.84 BCHE (0.32) BCHEACHE
SCHEMBL7597695 0.83 HTR7 (0.31) HTR7SLC6A4DRD2
SCHEMBL797671 0.82 CNR2 (0.30) CNR2HTR7
SCHEMBL5859330 0.76 SLC6A4 (0.34) CNR2ALOX15HTR7SLC6A4DRD2
SCHEMBL7605569 0.75 HTR7 (0.30) HTR7SLC6A4DRD2
SCHEMBL8613248 0.75 SLC6A4 (0.34) CNR2ALOX15HTR7SLC6A4DRD2
SCHEMBL4622630 0.75 SLC6A4 (0.34) CNR2ALOX15HTR7SLC6A4DRD2
SCHEMBL27559648 0.75 SLC6A4 (0.33) CNR2ALOX15HTR7SLC6A4DRD2
SCHEMBL797680 0.74 CNR2 (0.34) CNR2ALOX15CNR1TLR8HTR7
SCHEMBL796720 0.74 BCHE (0.31) BCHEACHE

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.