SCHEMBL796296

SCHEMBL796296

CCCC[Zr]1(CCCC)C2C(C)=C(c3c(-c4ccccc4)cccc32)[Si](C)(C)C2=C(C)C1c1cccc(-c3ccccc3)c12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.32
HSD11B1 P28845 2/20 0.31
TSHR P16473 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
GCGR P47871 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
SCHEMBL797531 0.90 PSMB5 (0.31) PSMB5
SCHEMBL797101 0.88 PSMB5 (0.31) PSMB5
SCHEMBL797762 0.87 BCHE (0.30) BCHEACHEGCGR
SCHEMBL797807 0.83 BCHE (0.36) BCHEACHE
SCHEMBL7878204 0.83 PDCD1 (0.31)
SCHEMBL797326 0.82 PSMB5 (0.33) PSMB5HSD11B1TSHRBCHEACHE
SCHEMBL797644 0.81 GCGR (0.34) PSMB5HSD11B1TSHRBCHEACHE
SCHEMBL5067415 0.81 PDCD1 (0.31)
SCHEMBL797335 0.80 PDCD1 (0.30)
SCHEMBL797664 0.80 TLR8 (0.30)

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 PSMB5 1957/4885HSD11B1 179/4885TSHR 4113/4885

“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.