SCHEMBL772598

SCHEMBL772598

CC(C)(C)OC(=O)N1CCC(OCCOc2cccc3c2OCCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
HTR6 P50406 2/20 0.35
CSF1R P07333 2/20 0.35
KDR P35968 1/20 0.35
NR1I2 O75469 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
TOP2A P11388 1/20 0.34
ALK Q9UM73 1/20 0.33
P2RY14 Q15391 1/20 0.33
BCHE P06276 1/20 0.32
USP30 Q70CQ3 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
SCN9A Q15858 1/20 0.32
DGAT2 Q96PD7 1/20 0.32

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
SCHEMBL772515 0.92 PRKCA (0.44) PRKCAMMP12HTR6CSF1RKDR
SCHEMBL10283619 0.90 PRKCA (0.45) PRKCAMMP12NR1I2SCN9A
Hydrochloric Acid SCHEMBL772911 0.89 PRKCA (0.44) PRKCAMMP12NR1I2SCN9A
SCHEMBL12429470 0.87 PRKCA (0.43) PRKCAMMP12NR1I2SCN9A
Hydrochloric Acid SCHEMBL773075 0.86 PRKCA (0.43) PRKCAMMP12NR1I2SCN9A
SCHEMBL12429463 0.84 PRKCA (0.56) PRKCAMMP12NR1I2SCN9A
Hydrochloric Acid SCHEMBL773108 0.83 PRKCA (0.56) PRKCAMMP12NR1I2SCN9A
SCHEMBL12429455 0.82 PRKCA (0.46) PRKCAMMP12NR1I2SCN9A
SCHEMBL10283485 0.81 PRKCA (0.46) PRKCAMMP12NR1I2SCN9A
Hydrochloric Acid SCHEMBL774778 0.81 PRKCA (0.45) PRKCAMMP12NR1I2SCN9A

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 8 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
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 PRKCA 2404/4885MMP12 1013/4885PDE4A 3357/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885PDE4A 3357/4885

“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.