SCHEMBL3038093

SCHEMBL3038093

C/C=C\CCCCCCOC=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
LPAR2 Q9HBW0 6/20 0.35
LPAR3 Q9UBY5 6/20 0.35
LPAR1 Q92633 3/20 0.35
SOAT1 P35610 1/20 0.32
TERT O14746 2/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL27647694 1.00 FAAH (0.35) FAAHTRPV1LPAR2LPAR3LPAR1
SCHEMBL3024778 1.00 FAAH (0.35) FAAHTRPV1LPAR2LPAR3LPAR1
SCHEMBL95937 0.91
SCHEMBL1017534 0.82 LPAR2 (0.33) LPAR2LPAR3LPAR1SOAT1
SCHEMBL97123 0.81
SCHEMBL9618002 0.81 FAAH (0.59) FAAHTRPV1LPAR2LPAR3LPAR1
SCHEMBL11072895 0.81 LPAR3 (0.55) FAAHTRPV1LPAR2LPAR3LPAR1
SCHEMBL6744603 0.81 FAAH (0.59) FAAHTRPV1LPAR2LPAR3LPAR1
SCHEMBL10603998 0.81 LPAR3 (0.55) FAAHTRPV1LPAR2LPAR3LPAR1
SCHEMBL13048889 0.81 FAAH (0.59) FAAHTRPV1LPAR2LPAR3LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216736-A2 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound MATSUDA, AKIRA (JP) 2010-03-04 US disclosed
EP-2045256-A1 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2009-04-08 EP 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 (2 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-20100216736-A2 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND NUDT1, DPYD, SLC29A1 FAAH 4580/4885TRPV1 4427/4885LPAR2 2934/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 FAAH 4580/4885TRPV1 4427/4885LPAR2 2934/4885

“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.