SCHEMBL3035332

SCHEMBL3035332

CCCC/C=C/CCCOC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.46
TRPV1 Q8NER1 2/20 0.46
LPAR3 Q9UBY5 3/20 0.46
LPAR2 Q9HBW0 2/20 0.44
LPAR1 Q92633 1/20 0.44
TSHR P16473 2/20 0.44
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL3035570 1.00 FAAH (0.46) FAAHTRPV1LPAR3LPAR2LPAR1
SCHEMBL27325796 1.00 FAAH (0.46) FAAHTRPV1LPAR3LPAR2LPAR1
SCHEMBL24573727 0.93 FAAH (0.56) FAAHTRPV1LPAR3TSHRALDH1A1
SCHEMBL27753379 0.93 FAAH (0.56) FAAHTRPV1LPAR3TSHRALDH1A1
SCHEMBL10603998 0.91 LPAR3 (0.55) FAAHTRPV1LPAR3LPAR2LPAR1
SCHEMBL10604000 0.91 LPAR3 (0.55) FAAHTRPV1LPAR3LPAR2LPAR1
SCHEMBL11072895 0.91 LPAR3 (0.55) FAAHTRPV1LPAR3LPAR2LPAR1
SCHEMBL31508863 0.91 LPAR3 (0.55) FAAHTRPV1LPAR3LPAR2LPAR1
SCHEMBL727768 0.91 LPAR3 (0.55) FAAHTRPV1LPAR3LPAR2LPAR1
SCHEMBL11072902 0.91 LPAR3 (0.55) FAAHTRPV1LPAR3LPAR2LPAR1

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 4427/4885LPAR3 2306/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 FAAH 4580/4885TRPV1 4427/4885LPAR3 2306/4885

“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.