SCHEMBL797327

SCHEMBL797327

CCCC[Zr](CCCC)(CC[Zr](CCCC)(CCCC)C1C(C)=Cc2c(-c3ccccc3)cccc21)C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SOAT1 P35610 2/20 0.30
TSHR P16473 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
SCHEMBL796600 0.86 BCHE (0.35) BCHEACHEKDM4E
SCHEMBL797645 0.85 BCHE (0.31) BCHEACHEPDCD1CD274
Hydrochloric Acid SCHEMBL7186888 0.85 BCHE (0.31) BCHEACHEPDCD1CD274
SCHEMBL796778 0.84 CNR2 (0.34) BCHEACHE
Hexane SCHEMBL8606179 0.81 SOAT1 (0.32) BCHEACHEPDCD1CD274SOAT1
SCHEMBL797565 0.80
Hexane SCHEMBL8635688 0.80 SOAT1 (0.32) BCHEACHEPDCD1CD274SOAT1
SCHEMBL7604235 0.80 PDCD1 (0.35) PDCD1CD274
SCHEMBL5951553 0.78 PDCD1 (0.34) PDCD1CD274
SCHEMBL27493379 0.78 PDCD1 (0.34) PDCD1CD274

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 BCHE 3113/4885ACHE 4453/4885PDCD1 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.