SCHEMBL806067

SCHEMBL806067

C=CCCCC(=O)c1cccc2c1[nH]c(=O)n2C(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
DAO P14920 5/20 0.34
PGR P06401 5/20 0.33
FAAH O00519 4/20 0.32
MGLL Q99685 3/20 0.32
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL2632607 0.79 POLB (0.47) POLBDAOPGR
SCHEMBL806171 0.78 POLB (0.35) POLBDAOCNR1CNR2
SCHEMBL806064 0.78 DAO (0.43) POLBDAOPGRFAAHMAPT
SCHEMBL1654678 0.71 POLB (0.49) POLBDAOPGR
SCHEMBL10089107 0.68 POLB (0.33) POLB
SCHEMBL10089118 0.67 POLB (0.34) POLBDAOPGR
SCHEMBL16313719 0.66 MAPT (0.44) FAAHMGLLMAPT
SCHEMBL1055192 0.66 CTNNB1 (0.49)
SCHEMBL9058773 0.64 CYP19A1 (0.50) MAPTHTT
SCHEMBL12794013 0.63 POLB (0.51) POLBDAOPGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012037259-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-22 WO 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 (1 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-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF POLB 525/4885DAO 2339/4885PGR 1575/4885

“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.