SCHEMBL772917

SCHEMBL772917

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c(OCc2ccccc2)cccc1-3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
PTGER1 P34995 7/20 0.42
MRGPRX4 Q96LA9 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
NR1I2 O75469 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL771223 0.92 PRKCA (0.43) PRKCAMMP12MRGPRX4KDM2BNR1I2
SCHEMBL792859 0.87 PRKCA (0.37) PRKCAMMP12PTGER1MEN1KMT2A
SCHEMBL4206515 0.87 PRKCA (0.52) PRKCAMMP12PTGER1MRGPRX4RXRA
SCHEMBL773902 0.87 PRKCA (0.50) PRKCAMMP12NR1I2SCN9A
SCHEMBL10283485 0.87 PRKCA (0.46) PRKCAMMP12NR1I2MEN1TP53
SCHEMBL4219730 0.87 PRKCA (0.52) PRKCAMMP12PTGER1MRGPRX4RXRA
SCHEMBL12429463 0.86 PRKCA (0.56) PRKCAMMP12NR1I2SMN1; SMN2SCN9A
Hydrochloric Acid SCHEMBL771989 0.86 PRKCA (0.45) PRKCAMMP12NR1I2MEN1TP53
SCHEMBL12429459 0.86 PRKCA (0.45) PRKCAMMP12MEN1TP53KMT2A
Hydrochloric Acid SCHEMBL773108 0.86 PRKCA (0.56) PRKCAMMP12NR1I2SMN1; SMN2SCN9A

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 9 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-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 1013/4885PTGER1 4321/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885PTGER1 4321/4885

“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.