SCHEMBL797526

SCHEMBL797526

CCCC[Ti]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 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.34
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PSMB5 P28074 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
SCHEMBL7599191 0.81 HTR1A (0.34) PDCD1CD274HTR1AHTR7HTR2B
SCHEMBL797793 0.80 MEN1 (0.33) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL797359 0.79
SCHEMBL797644 0.76 GCGR (0.34) GCGRPDCD1CD274BCHEACHE
SCHEMBL797420 0.72 TLR8 (0.30)
SCHEMBL797577 0.72 BCHE (0.35) BCHEACHE
SCHEMBL797306 0.71 SOAT1 (0.30) BCHEACHEHTR1AHTR7HTR2B
Hydrochloric Acid SCHEMBL5616347 0.70 PDCD1 (0.34) PDCD1CD274HTR1AHTR7HTR2B
SCHEMBL7602972 0.70 PDCD1 (0.34) PDCD1CD274HTR1AHTR7HTR2B
SCHEMBL797081 0.68 SOAT1 (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 1517/4885PDCD1 3769/4885CD274 3589/4885

“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.