SCHEMBL796674

SCHEMBL796674

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
CNR1 P21554 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TLR8 Q9NR97 1/20 0.33
ALOX15 P16050 4/20 0.32
HTR7 P34969 1/20 0.32
SLC6A4 P31645 2/20 0.32
DRD2 P14416 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL797421 0.85 ALOX15 (0.33) CNR2CNR1BCHEACHETLR8
Hexane SCHEMBL8604591 0.82 CNR1 (0.37) CNR2CNR1TLR8ALOX15HTR7
SCHEMBL7602064 0.81 CA12 (0.32) HTR7SLC6A4MEN1KMT2A
SCHEMBL796778 0.76 CNR2 (0.34) CNR2CNR1BCHEACHETLR8
SCHEMBL7599727 0.75 PTPN1 (0.33)
SCHEMBL797233 0.75 ALOX15 (0.32) CNR2CNR1BCHEACHETLR8
SCHEMBL17952999 0.75 ALDH1A1 (0.37) HTR7SLC6A4DRD2
SCHEMBL7781565 0.75 CYP1A2 (0.40) CNR2CNR1ALOX15HTR7SLC6A4
SCHEMBL797330 0.74 CNR2 (0.35) CNR2CNR1TLR8ALOX15HTR7
Hexane SCHEMBL8602699 0.73 TLR8 (0.37) CNR2CNR1BCHEACHETLR8

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 492/4885BCHE 3113/4885

“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.