SCHEMBL774440

SCHEMBL774440

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)NC(C)(C)c3ccc(C=CC(=O)O)cc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.48
CYP2C19 P33261 11/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2D6 P10635 2/20 0.48
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
KCNH2 Q12809 5/20 0.42
NR1I2 O75469 3/20 0.42
SCN5A Q14524 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL774439 1.00 CYP3A4 (0.48) CYP3A4CYP2C19CYP2C9CYP2D6ESR1
SCHEMBL772750 0.88 CYP3A4 (0.46) CYP3A4CYP2C19CYP2C9CYP2D6ESR1
SCHEMBL772751 0.88 CYP3A4 (0.46) CYP3A4CYP2C19CYP2C9CYP2D6ESR1
SCHEMBL772710 0.87 CYP3A4 (0.42) CYP3A4CYP2C19CYP2C9CYP2D6ESR1
SCHEMBL772711 0.87 CYP3A4 (0.42) CYP3A4CYP2C19CYP2C9CYP2D6ESR1
SCHEMBL2198763 0.87 CYP3A4 (0.53) CYP3A4CYP2C19CYP2C9CYP2D6ESR1
SCHEMBL2198767 0.87 CYP3A4 (0.53) CYP3A4CYP2C19CYP2C9CYP2D6ESR1
SCHEMBL773326 0.86 KCNH2 (0.41) CYP3A4CYP2C19CYP2C9KCNH2NR1I2
SCHEMBL792968 0.85 NR1I2 (0.47) CYP3A4CYP2C19CYP2C9KCNH2NR1I2
SCHEMBL771553 0.85 NR1I2 (0.44) CYP3A4CYP2C19CYP2C9CYP2D6KCNH2

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 CYP3A4 1341/4885CYP2C19 1316/4885CYP2C9 976/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP3A4 1341/4885CYP2C19 1316/4885CYP2C9 976/4885

“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.