SCHEMBL796599

SCHEMBL796599

CCCC[Zr]1(CCCC)C2C(CC)=C(CCC3=C(CC)C1c1cccc(-c4ccccc4)c13)c1c(-c3ccccc3)cccc12

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
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
SCHEMBL797326 0.87 PSMB5 (0.33) HTR1AHTR7BCHEACHEGCGR
SCHEMBL7598778 0.84 BRD4 (0.33) HTR1AHTR7CYP19A1CYP11B1CYP11B2
SCHEMBL797922 0.83 BCHE (0.36) BCHEACHE
SCHEMBL797081 0.82 SOAT1 (0.30) BCHEACHEGCGR
SCHEMBL797762 0.82 BCHE (0.30) BCHEACHEGCGR
SCHEMBL797937 0.81
SCHEMBL797517 0.80 SLC6A4 (0.32)
SCHEMBL797798 0.79 HTR7 (0.36) HTR1AHTR7BCHEACHECYP19A1
SCHEMBL797644 0.76 GCGR (0.34) BCHEACHEGCGR
SCHEMBL796296 0.74 PSMB5 (0.32) BCHEACHEGCGR

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 HTR1A 441/4885HTR7 803/4885BCHE 3113/4885

“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.