SCHEMBL771457

SCHEMBL771457

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OC)c(OC)c3OC)n(CCOC3CCCCO3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 3/20 0.34
ALDH1A1 P00352 3/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE4B Q07343 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
P2RX3 P56373 1/20 0.34
MAPK1 P28482 1/20 0.33
NR1I2 O75469 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
SCHEMBL771458 0.84 MEN1 (0.39) SCN9AMEN1KMT2AKCNH2PRKCA
SCHEMBL772086 0.82 KMT2A (0.40) SCN9AMEN1KMT2AALDH1A1ATM
SCHEMBL769188 0.73 ALDH1A1 (0.40) SCN9AKCNH2ALDH1A1ATMSMN1; SMN2
SCHEMBL13285900 0.71 NPC1 (0.33) P2RX3
SCHEMBL15595695 0.71 MEN1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL19504400 0.71 MEN1 (0.56) MEN1KMT2APDE4B
SCHEMBL792693 0.70 NPC1 (0.37) MEN1KMT2A
SCHEMBL772672 0.69 PARP1 (0.44) MEN1KMT2AALDH1A1ATMSMN1; SMN2
SCHEMBL3085384 0.69 KCNH2 (0.39) SCN9AKCNH2ALDH1A1ATMSMN1; SMN2
SCHEMBL3088667 0.69 KCNH2 (0.39) SCN9AKCNH2ALDH1A1ATMSMN1; SMN2

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 SCN9A 3087/4885MEN1 4753/4885KMT2A 1865/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SCN9A 3087/4885MEN1 4753/4885KMT2A 1865/4885

“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.