SCHEMBL797679

SCHEMBL797679

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.35
SLC6A4 P31645 3/20 0.33
CNR1 P21554 2/20 0.33
TLR8 Q9NR97 1/20 0.32
ALOX15 P16050 4/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL796777 0.88 HTR7 (0.36) HTR7SLC6A4CNR1TLR8ALOX15
SCHEMBL7599303 0.85 HTR7 (0.36) HTR7SLC6A4CNR1HTR1ADRD2
SCHEMBL797402 0.84 CNR1 (0.32) CNR1TLR8ALOX15NPC1MAPT
SCHEMBL797779 0.84 CNR1 (0.32) CNR1TLR8ALOX15
SCHEMBL796785 0.82 CNR1 (0.31) CNR1TLR8ALOX15
SCHEMBL797217 0.81 CNR1 (0.30) CNR1TLR8
SCHEMBL796713 0.81 HTR7 (0.38) HTR7SLC6A4CNR1TLR8ALOX15
SCHEMBL797517 0.78 SLC6A4 (0.32) SLC6A4CNR1TLR8DRD2
SCHEMBL7597692 0.77 HTR7 (0.38) HTR7SLC6A4CNR1HTR1ADRD2
SCHEMBL7602791 0.72 HTR7 (0.36) HTR7SLC6A4CNR1HTR1ANPC1

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 3564/4885CNR1 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.