SCHEMBL774624

SCHEMBL774624

Nc1cccc2c1OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.50
MMP12 P39900 1/20 0.50
SCN9A Q15858 5/20 0.41
NR1I2 O75469 2/20 0.40
KMO O15229 2/20 0.37
GAA P10253 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.33
NR4A1 P22736 1/20 0.32
PIK3CD O00329 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL771466 0.89 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL773877 0.89 PRKCA (0.52) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL772514 0.87 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL773242 0.87 PRKCA (0.55) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL773902 0.86 PRKCA (0.50) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL12429034 0.85 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL774009 0.85 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL771845 0.85 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL772119 0.85 PRKCA (0.53) PRKCAMMP12SCN9ANR1I2KMO
Hydrochloric Acid SCHEMBL774479 0.85 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2KMO

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 1013/4885SCN9A 3087/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885SCN9A 3087/4885

“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.