SCHEMBL797656

SCHEMBL797656

CCCC[Hf](CCCC)(C1c2cc(-c3c(C)cc(C)cc3C)ccc2-c2ccc(-c3c(C)cc(C)cc3C)cc21)C1c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4ccccc34)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.36
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
NTSR1 P30989 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
CNR2 P34972 1/20 0.31
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
TLR8 Q9NR97 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
NR3C1 P04150 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
SCHEMBL7599196 0.83 CA12 (0.37) CA12CA1CA2CA9NTSR1
SCHEMBL796973 0.81 CRHR1 (0.36) CRHR1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL8606095 0.77 CA12 (0.39) CA12CA1CA2CA9NTSR1
Hydrochloric Acid SCHEMBL7583797 0.77 CA12 (0.37) CA12CA1CA2CA9NTSR1
SCHEMBL7601274 0.77 CA12 (0.37) CA12CA1CA2CA9NTSR1
SCHEMBL797655 0.73 CRHR1 (0.33) CRHR1CA12CA1CA2CA9
SCHEMBL4622250 0.70 EDNRB (0.36) CRHR1CA12CA1CA2CA9
SCHEMBL796972 0.67 CRHR1 (0.33) CRHR1CA12CA1CA2CA9
SCHEMBL20609436 0.66 CYP2A6 (0.55) CRHR1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL8915890 0.66 EDNRB (0.38) CA12CA1CA2CA9NTSR1

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 CRHR1 295/4885CA12 2561/4885CA1 1968/4885

“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.