SCHEMBL773235

SCHEMBL773235

CCOC(=O)c1ccc2c(-c3ccccc3)c(-c3ccc(OCOC)cc3OCOC)n(CCO)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ADORA2A P29274 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
JMJD6 Q6NYC1 1/20 0.35
PTPN1 P18031 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL771454 0.90 PPARG (0.37) GABRA2GABRB2KMT2AMEN1ADORA2A
SCHEMBL773233 0.83 FAAH (0.35) KDM4ELMNAKMT2AMEN1ALDH1A1
SCHEMBL772140 0.81 LMNA (0.43) GABRA2GABRB2SMN1; SMN2KDM4ELMNA
SCHEMBL771452 0.76 KIT (0.35) GABRA2
SCHEMBL14607030 0.74 FAAH (0.34) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL792767 0.68 ALDH1A1 (0.33) ALDH1A1NPSR1
SCHEMBL771438 0.66 CYP1A2 (0.51) GABRA2GABRB2SMN1; SMN2KDM4ELMNA
SCHEMBL773608 0.64 GABRA2 (0.41) GABRA2GABRB2SMN1; SMN2KDM4ELMNA
SCHEMBL772139 0.63 LMNA (0.41) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL28497326 0.63 SMN1; SMN2 (0.53) GABRA2GABRB2SMN1; SMN2KDM4ELMNA

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 6 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
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 EGFR 3727/4885GABRA2 3679/4885GABRB2 3658/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 EGFR 3727/4885GABRA2 3679/4885GABRB2 3658/4885

“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.