SCHEMBL796777

SCHEMBL796777

CCCC[Zr]1(CCCC)C2C(C)=C(c3cccc4ccccc34)c3c(cccc32)CCc2cccc3c2C(c2cccc4ccccc24)=C(C)C31

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.36
SLC6A4 P31645 4/20 0.33
TLR8 Q9NR97 1/20 0.33
ALOX15 P16050 4/20 0.32
HTR1A P08908 2/20 0.32
CNR2 P34972 2/20 0.32
DRD2 P14416 2/20 0.32
CNR1 P21554 1/20 0.31
SLC6A2 P23975 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CYP2D6 P10635 2/20 0.31
DHFR P00374 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
FPR1 P21462 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 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
SCHEMBL797679 0.88 HTR7 (0.35) HTR7SLC6A4TLR8ALOX15HTR1A
SCHEMBL797329 0.84 TLR8 (0.32) TLR8ALOX15CNR2DHFR
SCHEMBL797800 0.84 TLR8 (0.32) TLR8ALOX15CNR2DHFRKDM4E
SCHEMBL7602791 0.83 HTR7 (0.36) HTR7SLC6A4HTR1ACNR2CNR1
SCHEMBL797690 0.81 TLR8 (0.31) TLR8ALOX15CNR2
SCHEMBL796673 0.78 HTR7 (0.36) HTR7SLC6A4TLR8ALOX15HTR1A
SCHEMBL797580 0.77 SLC6A4 (0.33) HTR7SLC6A4TLR8HTR1ADRD2
SCHEMBL7599303 0.75 HTR7 (0.36) HTR7SLC6A4HTR1ACNR2DRD2
Hydrochloric Acid SCHEMBL5616484 0.73 HTR7 (0.36) HTR7SLC6A4HTR1ACNR2CNR1
SCHEMBL7602061 0.73 HTR7 (0.39) HTR7SLC6A4HTR1ACNR2CNR1

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 HTR7 803/4885SLC6A4 3564/4885TLR8 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.