SCHEMBL2398274

SCHEMBL2398274

CCCCC/C=C\C/C=C\CCCCCCCCOC[C@H](O)CN(C)C

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
P2RY10 O00398 1/20 0.48
LPAR1 Q92633 1/20 0.48
LPAR3 Q9UBY5 1/20 0.48

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
SCHEMBL11899303 1.00 USP2 (0.51) USP2HTTALDH1A1CNR1CNR2
SCHEMBL2398170 1.00 USP2 (0.51) USP2HTTALDH1A1CNR1CNR2
SCHEMBL2398277 1.00 USP2 (0.51) USP2HTTALDH1A1CNR1CNR2
SCHEMBL2398172 1.00 USP2 (0.51) USP2HTTALDH1A1CNR1CNR2
SCHEMBL14339072 0.96 USP2 (0.56) USP2HTTP2RY10LPAR1LPAR3
SCHEMBL12943223 0.92 ALDH1A1 (0.56) USP2ALDH1A1CNR1CNR2LPAR1
SCHEMBL14848905 0.90 USP2 (0.59) USP2HTTALDH1A1CNR1CNR2
SCHEMBL14841798 0.90 USP2 (0.59) USP2HTTALDH1A1CNR1CNR2
SCHEMBL4814012 0.90 USP2 (0.59) USP2HTTALDH1A1CNR1CNR2
SCHEMBL14848735 0.90 USP2 (0.59) USP2HTTALDH1A1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224447-A1 Novel Lipid Nanoparticles and Novel Components for Delivery of Nucleic Acids MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224447-A1 Novel Lipid Nanoparticles and Novel Components for Delivery of Nucleic Acids MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
WO-2010080724-A1 NOVEL LIPID NANOPARTICLES AND NOVEL COMPONENTS FOR DELIVERY OF NUCLEIC ACIDS MERCK SHARP & DOHME CORP. (US) 2010-07-15 WO disclosed
WO-2010021865-A1 NOVEL LIPID NANOPARTICLES AND NOVEL COMPONENTS FOR DELIVERY OF NUCLEIC ACIDS MERCK SHARP & DOHME CORP. (US) 2010-02-25 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-20110224447-A1 Novel Lipid Nanoparticles and Novel Components for Delivery of Nucleic Acids NPC1, ABHD16A, NPC1L1 USP2 2809/4885HTT 2635/4885ALDH1A1 3870/4885

“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.