SCHEMBL3486719

SCHEMBL3486719

CCCCCCCC/C=C\CCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)CN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
SOAT1 P35610 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
EPHX2 P34913 3/20 0.51
TERT O14746 3/20 0.49
PTPN1 P18031 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
BLM P54132 2/20 0.49
HSD17B10 Q99714 2/20 0.49
FABP4 P15090 2/20 0.49
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
GMNN O75496 1/20 0.49

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
SCHEMBL4795873 1.00 FAAH (0.53) FAAHCYP1A2CYP2C19SOAT1KMT2A
SCHEMBL1557690 0.89 CA12 (0.47) CYP1A2CYP2C19KMT2AMEN1CYP3A4
SCHEMBL31496780 0.89 CA12 (0.47) CYP1A2CYP2C19KMT2AMEN1CYP3A4
SCHEMBL540900 0.89 CA12 (0.47) CYP1A2CYP2C19KMT2AMEN1CYP3A4
SCHEMBL6386826 0.89 CA12 (0.47) CYP1A2CYP2C19KMT2AMEN1CYP3A4
SCHEMBL4210960 0.89 CA12 (0.47) CYP1A2CYP2C19KMT2AMEN1CYP3A4
SCHEMBL3486793 0.87 FAAH (0.54) FAAHCYP1A2CYP2C19SOAT1KMT2A
Glycine SCHEMBL28998835 0.86 EPHX2 (0.63) FAAHCYP1A2CYP2C19SOAT1KMT2A
SCHEMBL14759700 0.85 ZDHHC20 (0.47) FAAHCYP1A2CYP2C19SOAT1KMT2A
SCHEMBL14759698 0.85 ZDHHC20 (0.47) FAAHCYP1A2CYP2C19SOAT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100036115-A1 Novel Compositions for the Delivery of Negatively Charged Molecules SIRNA THERAPEUTICS, INC. (US) 2010-02-11 US disclosed
US-7553830-B2 Compositions for the delivery of negatively charged molecules SIRNA THERAPEUTICS, INC. (US) 2009-06-30 US disclosed
EP-1724254-A2 Novel compositions for the delivery of negatively charged molecules Sirna Therapeutics, Inc. (US) 2006-11-22 EP disclosed
EP-1019365-B1 NOVEL COMPOSITIONS FOR THE DELIVERY OF NEGATIVELY CHARGED MOLECULES SIRNA THERAPEUTICS INC (US) 2005-11-09 EP disclosed
US-20050234232-A1 Novel compositions for the delivery of negatively charged molecules SIRNA THERAPEUTICS, INC. 2005-10-20 US disclosed
US-20030073640-A1 Novel compositions for the delivery of negatively charged molecules RIBOZYME PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-6395713-B1 CATIONIC LIPIDCATIONIC LIPID RIBOZYME PHARMACEUTICALS, INC. 2002-05-28 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-20100036115-A1 Novel Compositions for the Delivery of Negatively Charged Molecules PHAX, TARBP1, SNRPE FAAH 4610/4885CYP1A2 4883/4885CYP2C19 4884/4885
US-20050234232-A1 Novel compositions for the delivery of negatively charged molecules PHAX, TARBP1, SNRPE FAAH 4610/4885CYP1A2 4883/4885CYP2C19 4884/4885
US-20030073640-A1 Novel compositions for the delivery of negatively charged molecules PHAX, TARBP1, SNRPE FAAH 4610/4885CYP1A2 4883/4885CYP2C19 4884/4885

“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.