SCHEMBL773234

SCHEMBL773234

CCOC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OC)c(OC)c3OC)n(CCO)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
POLB P06746 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PDE4B Q07343 1/20 0.33
THRB P10828 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
KLK7 P49862 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DPP4 P27487 1/20 0.32
MAPT P10636 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
SCHEMBL771453 0.87 NR1H4 (0.39) NR1H4ALDH1A1KDM4EPDE4BKMT2A
SCHEMBL772139 0.84 LMNA (0.41) NR1H4SIRT2SIRT1ALDH1A1SMN1; SMN2
SCHEMBL773233 0.82 FAAH (0.35) NR1H4SIRT2SIRT1ALDH1A1KDM4E
SCHEMBL14607030 0.73 FAAH (0.34) NR1H4ALDH1A1KMT2AHTTHPGD
SCHEMBL12597543 0.73 GABRA2 (0.45) NR1H4ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL12597539 0.72 CYP1A2 (0.42) NR1H4ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL771452 0.70 KIT (0.35) NR1H4
SCHEMBL771437 0.70 ALDH1A1 (0.39) POLBALDH1A1KDM4ETHRBHTT
SCHEMBL771439 0.69 GAA (0.39) NR1H4POLBALDH1A1KDM4ETP53
SCHEMBL14606917 0.69 CCR3 (0.37) ALDH1A1KMT2AHTTSMN1; SMN2HPGD

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 NR1H4 369/4885POLB 77/4885SIRT2 2777/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NR1H4 369/4885POLB 77/4885SIRT2 2777/4885

“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.