SCHEMBL772864

SCHEMBL772864

CC(C)(C)OC(=O)N1CCC(Oc2ccc3c(c2)OCCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
HRH3 Q9Y5N1 1/20 0.41
GPR119 Q8TDV5 5/20 0.40
ALK Q9UM73 1/20 0.39
CHEK2 O96017 1/20 0.38
PDE4B Q07343 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
TOP2A P11388 1/20 0.38
USP30 Q70CQ3 2/20 0.36
P2RY14 Q15391 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL771765 0.96 PRKCA (0.46) PRMT5WDR77PRKCAMMP12HRH3
SCHEMBL772111 0.92 PRKCA (0.44) PRMT5WDR77PRKCAMMP12HRH3
SCHEMBL772448 0.87 PRKCA (0.48) PRMT5WDR77PRKCAMMP12SCN9A
SCHEMBL13286226 0.86 PRKCA (0.43) PRMT5WDR77PRKCAMMP12CHEK2
SCHEMBL772739 0.85 CHEK2 (0.40) PRMT5WDR77PRKCAMMP12CHEK2
SCHEMBL771540 0.84 PRKCA (0.46) PRMT5WDR77PRKCAMMP12SCN9A
SCHEMBL772000 0.83 PRKCA (0.51) PRKCAMMP12SCN9A
SCHEMBL792656 0.83 PRMT5 (0.39) PRMT5WDR77PRKCAMMP12HRH3
SCHEMBL772541 0.83 PRKCA (0.43) PRMT5WDR77PRKCAMMP12GPR119
SCHEMBL12428631 0.82 PRKCA (0.45) PRKCAMMP12SCN9A

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
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PRMT5 1658/4885WDR77 2313/4885PRKCA 2404/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRMT5 1658/4885WDR77 2313/4885PRKCA 2404/4885

“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.