SCHEMBL773170

SCHEMBL773170

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
MAPKAPK5 Q8IW41 1/20 0.35
RIPK1 Q13546 1/20 0.35
POLB P06746 2/20 0.35
NSD2 O96028 1/20 0.35
NSD1 Q96L73 1/20 0.35
NSD3 Q9BZ95 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
HPSE Q9Y251 1/20 0.35
PIK3CA P42336 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CNR2 P34972 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
NR1I2 O75469 2/20 0.34
KCNH2 Q12809 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL772345 0.87 MAOB (0.46) ALDH1A1PRKCAMMP12HPGD
SCHEMBL772000 0.82 PRKCA (0.51) PRKCAMMP12MAPKAPK2MAPKAPK5NR1I2
SCHEMBL14572880 0.81 MAOB (0.43) KDM4EALDH1A1POLBMEN1HPGD
SCHEMBL14572879 0.80 ALDH1A1 (0.37) KDM4EALDH1A1PRKCAMMP12MAPT
SCHEMBL774541 0.79 CYP3A4 (0.52) KCNH2
SCHEMBL774540 0.79 CYP3A4 (0.52) KCNH2
SCHEMBL12428671 0.79 TRPM8 (0.34) ALDH1A1GPR55TSHR
Hydrochloric Acid SCHEMBL771301 0.78 TRPM8 (0.34) ALDH1A1GPR55TSHR
SCHEMBL12428673 0.78 PRKCA (0.32) PRKCAMMP12
SCHEMBL13285999 0.78 PRKCA (0.43) PRKCAMMP12CNR2NR1I2KCNH2

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 KDM4E 2725/4885ALDH1A1 750/4885PRKCA 2404/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KDM4E 2725/4885ALDH1A1 750/4885PRKCA 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.