SCHEMBL796973

SCHEMBL796973

CCCC[Zr](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 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.36
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
NTSR1 P30989 1/20 0.34
MCL1 Q07820 2/20 0.33
ACMSD Q8TDX5 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
CNR2 P34972 3/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL4622250 0.89 EDNRB (0.36) CRHR1EDNRBEDNRAMCL1ACMSD
SCHEMBL7601274 0.83 CA12 (0.37) EDNRBEDNRANTSR1MCL1ACMSD
SCHEMBL797656 0.81 CRHR1 (0.36) CRHR1EDNRBEDNRANTSR1MCL1
Hydrochloric Acid SCHEMBL8606095 0.77 CA12 (0.39) EDNRBEDNRANTSR1MCL1ACMSD
SCHEMBL7599196 0.77 CA12 (0.37) EDNRBEDNRANTSR1MCL1ACMSD
Hydrochloric Acid SCHEMBL7583797 0.77 CA12 (0.37) EDNRBEDNRANTSR1MCL1ACMSD
SCHEMBL796972 0.73 CRHR1 (0.33) CRHR1CA12CA1CA2CA9
SCHEMBL797390 0.70 PGR (0.31)
SCHEMBL797705 0.68 ACHE (0.49)
SCHEMBL797655 0.67 CRHR1 (0.33) CRHR1CA12CA1CA2CA9

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 4 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
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

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 295/4885EDNRB 1609/4885EDNRA 1301/4885

“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.