SCHEMBL3393464

SCHEMBL3393464

CC(N)CNCCCNCC(C)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CA3 P07451 1/20 0.38
ANPEP P15144 3/20 0.36
CYP2C19 P33261 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ERAP2 Q6P179 1/20 0.36
GLA P06280 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
PKM P14618 1/20 0.32
OPRM1 P35372 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
SCHEMBL12249038 0.92 ANPEP (0.44) CA12CA2CA4CA6CA5A
SCHEMBL20243390 0.88 CA12 (0.52) CA12CA2CA4CA6CA5A
SCHEMBL9079828 0.88 ALDH1A1 (0.39) CA12CA2CA4CA6CA5A
SCHEMBL753089 0.88 ALDH1A1 (0.39) CA12CA2CA4CA6CA5A
SCHEMBL9079391 0.88 ALDH1A1 (0.39) CA12CA2CA4CA6CA5A
SCHEMBL9043256 0.88 ALDH1A1 (0.39) CA12CA2CA4CA6CA5A
SCHEMBL9425876 0.88 ALDH1A1 (0.39) CA12CA2CA4CA6CA5A
SCHEMBL2528294 0.87
SCHEMBL3126491 0.87
SCHEMBL2336707 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170056526-A1 COMPOSITIONS FOR GASTROINTESTINAL ADMINISTRATION OF RNA ETHRIS GMBH (DE) 2017-03-02 US disclosed
EP-1812074-B1 INTRACELLULAR PEPTIDE DELIVERY NITTO DENKO CORP (JP) 2010-12-29 EP disclosed
US-7521415-B2 pretreatment of the cells with polycations, cationic polymers and/or cationic peptides, then administering the peptides to the pretreated cells and transporting the peptide into the pretreated mammalian cells NITTO DENKO CORPORATION (JP) 2009-04-21 US disclosed
EP-1812074-A1 INTRACELLULAR PEPTIDE DELIVERY Nitto Denko Corporation (JP) 2007-08-01 EP disclosed
EP-1675888-B1 CATIONIC POLYMERS HAVING DEGRADABLE CROSSLINKS NITTO DENKO CORP (JP) 2007-06-20 EP disclosed
US-7163677-B2 Cationic polymers having degradable crosslinks NITTO DENKO CORPORATION (JP) 2007-01-16 US disclosed
EP-1675888-A1 CATIONIC POLYMERS HAVING DEGRADABLE CROSSLINKS Nitto Denko Corporation (JP) 2006-07-05 EP disclosed
WO-2006044986-A1 INTRACELLULAR PEPTIDE DELIVERY NITTO DENKO CORPORATION (JP) 2006-04-27 WO disclosed
US-20060083737-A1 pretreatment of the cells with polycations, cationic polymers and/or cationic peptides, then administering the peptides to the pretreated cells and transporting the peptide into the pretreated mammalian cells NITTO DENKO CORPORATION (JP) 2006-04-20 US disclosed
WO-2005042620-A1 CATIONIC POLYMERS HAVING DEGRADABLE CROSSLINKS NITTO DENKO CORPORATION (JP) 2005-05-12 WO disclosed
US-20050089503-A1 Cationic polymers having degradable crosslinks NITTO DENKO CORPORATION (JP) 2005-04-28 US disclosed
EP-0729938-B1 A method for producing aryl alkyl hydroperoxides MITSUI CHEMICALS INC (JP) 2001-09-05 EP disclosed
US-6028193-A CATALYZING THE OXIDATION REACTION IN PRESENCE OF A TRANSITION METAL COMPLEX WHICH CONTAINS A CYCLIC POLYFUNCTIONAL AMINE COMPOUND HAVING AT LEAST THREE NITROGEN ATOMS IN THE RING FORMING MOLECULAR MITSUI CHEMICALS, INC. (JP) 2000-02-22 US disclosed
US-5945572-A Method for producing aryl alkyl hydroperoxides MITSUI CHEMICALS, INC. (JP) 1999-08-31 US disclosed
US-5847227-A Method for producing aryl alkyl hydroperoxides MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-12-08 US disclosed
EP-0729938-A2 A method for producing aryl alkyl hydroperoxides MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-09-04 EP disclosed
US-4018946-A Production of heat-expandable styrene-polymer bit-pieces SEALED AIR CORPORATION (US) 1977-04-19 US 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 (3 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-20170056526-A1 COMPOSITIONS FOR GASTROINTESTINAL ADMINISTRATION OF RNA RNASE1, RNMT, EXOSC9 CA12 3281/4885CA2 4070/4885CA4 3172/4885
US-20050089503-A1 Cationic polymers having degradable crosslinks HNRNPH3, FIBP, PUF60 CA12 793/4885CA2 1313/4885CA4 1517/4885
US-20060083737-A1 pretreatment of the cells with polycations, cationic polymers and/or cationic peptides, then administering the peptides to the pretreated cells and transporting the peptide into the pretreated mammalian cells TAP1, PRCP, TAP2 CA12 2081/4885CA2 2477/4885CA4 2420/4885

“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.