SCHEMBL797800

SCHEMBL797800

CCCC[Zr]1(CCCC)C2C(C)=C(c3cccc4ccccc34)c3c2cccc3C(C)(C)c2cccc3c2C(c2cccc4ccccc24)=C(C)C31

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.32
ALOX15 P16050 4/20 0.32
CNR2 P34972 1/20 0.32
DHFR P00374 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL797402 0.88 CNR1 (0.32) TLR8ALOX15MAPTSMN1; SMN2
SCHEMBL796777 0.84 HTR7 (0.36) TLR8ALOX15CNR2DHFRKDM4E
SCHEMBL7601455 0.83 DHFR (0.32) DHFRKDM4EMEN1MAPTHPGD
SCHEMBL797329 0.83 TLR8 (0.32) TLR8ALOX15CNR2DHFR
SCHEMBL797690 0.81 TLR8 (0.31) TLR8ALOX15CNR2
SCHEMBL797420 0.79 TLR8 (0.30) TLR8ALOX15
SCHEMBL797522 0.78 MEN1 (0.35) TLR8KDM4EMEN1MAPTHTT
SCHEMBL7607482 0.76 HTR2A (0.31) MAPTSMN1; SMN2
SCHEMBL7599726 0.74 DHFR (0.32) DHFRKDM4EMEN1MAPTHPGD
Hydrochloric Acid SCHEMBL5616525 0.74 DHFR (0.35) DHFRKDM4EMEN1MAPTHPGD

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 TLR8 3097/4885ALOX15 1987/4885CNR2 1020/4885

“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.