SCHEMBL2224267

SCHEMBL2224267

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(N5C(=O)c6ccccc6C5=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
INPP5D Q92835 1/20 0.59
CDC25A P30304 4/20 0.56
POLA1 P09884 1/20 0.54
SRD5A1 P18405 7/20 0.53
SRD5A2 P31213 6/20 0.53
NPC1L1 Q9UHC9 1/20 0.49
ST6GAL1 P15907 1/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
OSBP P22059 1/20 0.48
OSBP2 Q969R2 1/20 0.48
EBP Q15125 1/20 0.47
DHCR7 Q9UBM7 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47

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
SCHEMBL27321923 0.81 OSBP (0.65) POLA1SRD5A1NPC1L1USP2LMNA
SCHEMBL3676831 0.79 CYP2D6 (0.66) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL2224276 0.79 EPHA2 (0.55) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL11459234 0.78 CYP2D6 (0.67) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL4021026 0.78 CYP2D6 (0.67) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL11468426 0.78 CYP2D6 (0.67) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL13769841 0.78 CYP2D6 (0.67) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL11459235 0.78 CYP2D6 (0.67) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL11470540 0.78 CYP2D6 (0.67) CYP2D6CYP2C19INPP5DCDC25APOLA1
SCHEMBL4021032 0.78 CYP2D6 (0.67) CYP2D6CYP2C19INPP5DCDC25APOLA1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011084721-A2 CATIONIC MOLECULE AND METHOD OF USE AGAVE PHARMA INC (US) 2011-07-14 WO disclosed
EP-0799059-B1 CATIONIC AMPHIPHILES AND PLASMIDS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES GENZYME CORP (US) 2002-07-31 EP disclosed
US-6383814-B1 AEROSOLIZED SOLUTION INCLUDES BIOLOGICALLY ACTIVE MOLECULE, CATIONIC AMPHIPHILE FOR TRANSPORT OF ACTIVE MOLECULE INTO CELL, AND POLYETHYLENE GLYCOL-PHOSPHATIDYLETHANOLAMINE; GENE THERAPY; ANTISENSE AGENTS GENZYME CORPORATION 2002-05-07 US disclosed
US-20020013282-A1 CATIONIC AMPHIPILE COMPOSITIONS FOR INTERACELLUAR DELIVERY OF THERAPEUTIC MOLECULES MARSHALL JOHN (US) 2002-01-31 US disclosed
US-6331524-B1 ADMINISTERING COMPLEX OF SPERMIDINE CHOLESTEROL CARBAMATE AND POLYNUCLEOTIDE ENCODING RETINOBLASTOMA PROTEIN AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS GENZYME CORPORATION 2001-12-18 US disclosed
EP-1007003-A1 CATIONIC AMPHIPHILE COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES Genzyme Corporation (US) 2000-06-14 EP disclosed
US-6071890-A COMPLEX OF A BIOLOGICALLY ACTIVE MOLECULE SELECTED FROM A PROTEIN, SMALL MOLECULE, NUCLEIC ACIDS WITH A CATIONIC AMPHIPHILE GENZYME CORPORATION (US) 2000-06-06 US disclosed
EP-0954338-A2 CATIONIC AMPHIPHILE/DNA COMPLEXES Genzyme Corporation (US) 1999-11-10 EP disclosed
EP-0954339-A2 CATIONIC AMPHIPHILE COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES Genzyme Corporation (US) 1999-11-10 EP disclosed
US-5948767-A TRANSPORT OF ACTIVE MATERIAL INTO CELLS; DRUG DELIVERY GENZYME CORPORATION (US) 1999-09-07 US disclosed
US-5783565-A FORM COMPLEXES WITH BIOLOGICALLY ACTIVE MOLECULES; GENE THERAPY GENZYME CORPORATION (US) 1998-07-21 US disclosed
US-5767099-A CONTAINING LIPOPHILIC GROUPS DERIVED FROM STEROIDS GENZYME CORPORATION (US) 1998-06-16 US disclosed
US-5747471-A DNA, RNA AND ANTISENSE POLYNUCLEOTIDES FOR GENE THERAPY GENZYME CORPORATION (US) 1998-05-05 US disclosed
WO-1998013026-A1 CATIONIC AMPHIPHILE COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES GENZYME CORPORATION (US) 1998-04-02 WO disclosed
US-5719131-A GENE THERAPY GENZYME CORPORATION (US) 1998-02-17 US disclosed
WO-1998002191-A2 CATIONIC AMPHIPHILE COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES GENZYME CORPORATION (US) 1998-01-22 WO disclosed
WO-1998002190-A2 CATIONIC AMPHIPHILE/DNA COMPLEXES GENZYME CORPORATION (US) 1998-01-22 WO disclosed
EP-0799059-A1 CATIONIC AMPHIPHILES AND PLASMIDS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES GENZYME CORPORATION (US) 1997-10-08 EP disclosed
US-5650096-A Cationic amphiphiles for intracellular delivery of therapeutic molecules GENZYME CORPORATION (US) 1997-07-22 US disclosed
WO-1996018372-A2 CATIONIC AMPHIPHILES AND PLASMIDS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC MOLECULES GENZYME CORPORATION (US) 1996-06-20 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-20020013282-A1 CATIONIC AMPHIPILE COMPOSITIONS FOR INTERACELLUAR DELIVERY OF THERAPEUTIC MOLECULES ANXA4, ABCB4, SLC43A1 CYP2D6 3885/4885CYP2C19 4232/4885INPP5D 1147/4885

“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.