SCHEMBL806064

SCHEMBL806064

C=CCCCCc1cccc2c1[nH]c(=O)n2C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.43
POLB P06746 1/20 0.43
PGR P06401 7/20 0.34
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 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
SCHEMBL10089107 0.72 POLB (0.33) POLB
SCHEMBL10099018 0.71 LMNA (0.36) POLBLMNAMEN1MAPTPKM
SCHEMBL12792523 0.66 DAO (0.63) DAOPOLBPGRLMNAMEN1
SCHEMBL15079233 0.66 POLB (0.53) DAOPOLBPGRALDH1A1HPGD
SCHEMBL12792847 0.65 POLB (0.55) DAOPOLBPGRALDH1A1HPGD
SCHEMBL12794217 0.65 POLB (0.51) DAOPOLBPGRLMNAMEN1
SCHEMBL8076094 0.64 ALDH1A1 (0.43) LMNAMAPTEP300KAT2BKAT5
SCHEMBL2632607 0.64 POLB (0.47) DAOPOLBPGR
SCHEMBL1654678 0.63 POLB (0.49) DAOPOLBPGRKMT2APRKD3
SCHEMBL8062344 0.63 USP2 (0.46) LMNAMAPTEP300KAT2BKAT5

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 DAO 2339/4885POLB 525/4885PGR 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.