SCHEMBL136647

SCHEMBL136647

CCCCCCCCCCCCCC1CC(CN)O1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
EPHX1 P07099 2/20 0.50
CYP1A2 P05177 2/20 0.42
DRD1 P21728 1/20 0.41
DNM1 Q05193 7/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
SPHK1 Q9NYA1 4/20 0.37
SPHK2 Q9NRA0 3/20 0.37

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
SCHEMBL11052003 0.78 EPHX1 (0.64) ALDH1A1EPHX1CYP1A2TSHRSPHK1
SCHEMBL16841232 0.77 ALDH1A1 (0.61) ALDH1A1EPHX1CYP1A2
SCHEMBL14193315 0.76 ALDH1A1 (0.46) ALDH1A1EPHX1CYP1A2DRD1DNM1
SCHEMBL9286366 0.75 EPHX1 (0.50) ALDH1A1EPHX1CYP1A2DNM1
SCHEMBL7155873 0.75 EPHX1 (0.60) ALDH1A1EPHX1CYP1A2TSHR
SCHEMBL4446169 0.75 ALDH1A1 (0.46) ALDH1A1EPHX1CYP1A2DRD1MEN1
SCHEMBL7155865 0.75 EPHX1 (0.60) ALDH1A1EPHX1CYP1A2TSHR
SCHEMBL4464256 0.75 EPHX1 (0.60) ALDH1A1EPHX1CYP1A2TSHR
SCHEMBL6479195 0.74 EPHX1 (0.59) ALDH1A1EPHX1CYP1A2TSHR
Dodecane SCHEMBL28901762 0.73 ALDH1A1 (0.62) ALDH1A1EPHX1DNM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2567693-B1 Lipid encapsulated interfering RNA PROTIVA BIOTHERAPEUTICS INC (CA) 2015-10-21 EP disclosed
US-8936942-B2 Polyethyleneglycol-modified lipid compounds and uses thereof PROTIVA BIOTHERAPEUTICS, INC. (CA) 2015-01-20 US disclosed
EP-1648519-B1 LIPID ENCAPSULATED INTERFERING RNA PROTIVA BIOTHERAPEUTICS INC (CA) 2014-10-08 EP disclosed
EP-2567693-A1 Lipid encapsulated interfering RNA Protiva Biotherapeutics Inc. (CA) 2013-03-13 EP disclosed
EP-1664316-B1 POLYETHYLENEGLYCOL-MODIFIED LIPID COMPOUNDS AND USES THEREOF PROTIVA BIOTHERAPEUTICS INC (CA) 2012-08-29 EP disclosed
US-20120058188-A1 LIPID ENCAPSULATED INTERFERING RNA PROTIVA BIOTHERAPEUTICS, INC. (CA) 2012-03-08 US disclosed
US-7982027-B2 silencing gene expression by delivering nucleic acid-lipid particles comprising a siRNA molecule to a cell; hepatitis PROTIVA BIOTHERAPEUTICS, INC. (CA) 2011-07-19 US disclosed
US-20110091525-A1 POLYETHYLENEGLYCOL-MODIFIED LIPID COMPOUNDS AND USES THEREOF PROTIVA BIOTHERAPEUTICS, INC. (CA) 2011-04-21 US disclosed
US-7803397-B2 Polyethyleneglycol-modified lipid compounds and uses thereof PROTIVA BIOTHERAPEUTICS, INC. (CA) 2010-09-28 US disclosed
US-20060240093-A1 LIPID ENCAPSULATED INTERFERING RNA PROTIVA BIOTHERAPEUTICS, INC. (CA) 2006-10-26 US disclosed
WO-2006074546-A1 LIPID ENCAPSULATED INTERFERING RNA PROTIVA BIOTHERAPEUTICS, INC. (CA) 2006-07-20 WO disclosed
EP-1664316-A1 POLYETHYLENEGLYCOL-MODIFIED LIPID COMPOUNDS AND USES THEREOF Protiva Biotherapeutics Inc. (CA) 2006-06-07 EP disclosed
US-20050175682-A1 Polyethyleneglycol-modified lipid compounds and uses thereof PROTIVA BIOTHERAPEUTICS, INC. (CA) 2005-08-11 US disclosed
US-20050064595-A1 Lipid encapsulated interfering RNA PROTIVA BIOTHERAPEUTICS, INC. (CA) 2005-03-24 US disclosed
WO-2005026372-A1 POLYETHYLENEGLYCOL-MODIFIED LIPID COMPOUNDS AND USES THEREOF PROTIVA BIOTHERAPEUTICS, INC. (CA) 2005-03-24 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 (5 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-20110091525-A1 POLYETHYLENEGLYCOL-MODIFIED LIPID COMPOUNDS AND USES THEREOF LIPA, PNLIP, PLTP ALDH1A1 2323/4885EPHX1 733/4885CYP1A2 3092/4885
US-20050064595-A1 Lipid encapsulated interfering RNA ABHD16A, LDLR, RNASE1 ALDH1A1 3762/4885EPHX1 3325/4885CYP1A2 4876/4885
US-20050175682-A1 Polyethyleneglycol-modified lipid compounds and uses thereof LIPA, PNLIP, PLTP ALDH1A1 2323/4885EPHX1 733/4885CYP1A2 3092/4885
US-20120058188-A1 LIPID ENCAPSULATED INTERFERING RNA ABHD16A, LDLR, RNASE1 ALDH1A1 3762/4885EPHX1 3325/4885CYP1A2 4876/4885
US-20060240093-A1 LIPID ENCAPSULATED INTERFERING RNA ABHD16A, LDLR, RNASE1 ALDH1A1 3762/4885EPHX1 3325/4885CYP1A2 4876/4885

“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.