SCHEMBL797517

SCHEMBL797517

CCCC[Zr]1(CCCC)C2C(CC)=C(CCC3=C(CC)C1c1ccc4ccccc4c13)c1c2ccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.32
DRD2 P14416 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR1 P21554 2/20 0.32
CHAT P28329 1/20 0.32
TLR8 Q9NR97 1/20 0.30
ATM Q13315 1/20 0.30
DPP4 P27487 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
SCHEMBL797580 0.86 SLC6A4 (0.33) SLC6A4DRD2GAATDP1L3MBTL1
SCHEMBL7607532 0.83 SLC6A4 (0.33) SLC6A4DRD2GAA
SCHEMBL796360 0.82 MEN1 (0.32) GAATDP1L3MBTL1CNR1CHAT
SCHEMBL797210 0.82 GAA (0.32) GAATDP1L3MBTL1CNR1CHAT
SCHEMBL798872 0.79 GAA (0.30) GAATDP1L3MBTL1
SCHEMBL797926 0.78
SCHEMBL797679 0.78 HTR7 (0.35) SLC6A4DRD2CNR1TLR8
SCHEMBL797107 0.76 SLC6A4 (0.32) SLC6A4DRD2GAADPP4
SCHEMBL797522 0.76 MEN1 (0.35) GAATDP1L3MBTL1TLR8
SCHEMBL797664 0.73 TLR8 (0.30) TLR8

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 SLC6A4 3564/4885DRD2 654/4885GAA 4551/4885

“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.