SCHEMBL797644

SCHEMBL797644

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.34
PSMB5 P28074 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 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
NR1H3 Q13133 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
SCHEMBL797081 0.89 SOAT1 (0.30) GCGRBCHEACHE
SCHEMBL796637 0.83 BCHE (0.36) BCHEACHE
SCHEMBL797326 0.82 PSMB5 (0.33) GCGRPSMB5PDCD1CD274HSD11B1
SCHEMBL796296 0.81 PSMB5 (0.32) GCGRPSMB5HSD11B1TSHRBCHE
SCHEMBL7602972 0.81 PDCD1 (0.34) PDCD1CD274
SCHEMBL797101 0.79 PSMB5 (0.31) PSMB5
SCHEMBL797531 0.78 PSMB5 (0.31) PSMB5
SCHEMBL796599 0.76 HTR1A (0.31) GCGRBCHEACHE
SCHEMBL797526 0.76 GCGR (0.34) GCGRPSMB5PDCD1CD274BCHE
SCHEMBL797762 0.75 BCHE (0.30) GCGRBCHEACHE

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 GCGR 1517/4885PSMB5 1957/4885PDCD1 3769/4885

“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.