SCHEMBL797678

SCHEMBL797678

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
SOAT1 P35610 3/20 0.32
PTPN1 P18031 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 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
SCHEMBL797799 0.86 BCHE (0.32) PDCD1CD274BCHEACHESOAT1
SCHEMBL797338 0.81 SOAT1 (0.31) SOAT1
Hexane SCHEMBL8604375 0.81 SOAT1 (0.34) BCHEACHESOAT1PTPN1
SCHEMBL7599336 0.80 PDCD1 (0.35) PDCD1CD274CHRNB2CHRNA4
SCHEMBL21778060 0.78 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4
SCHEMBL28807858 0.77 BCHE (0.36) PDCD1CD274BCHEACHESOAT1
SCHEMBL796458 0.76 BCHE (0.32) BCHEACHETSHR
SCHEMBL27489709 0.75 SOAT1 (0.37) BCHEACHESOAT1
SCHEMBL19639745 0.74 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
SCHEMBL5552344 0.73 SOAT1 (0.34) SOAT1

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 PDCD1 3769/4885CD274 3589/4885BCHE 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.