SCHEMBL3034864

SCHEMBL3034864

C/C=C\C(CCCCC)OC=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
MAPT P10636 1/20 0.39
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
SMPD1 P17405 3/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FDPS P14324 4/20 0.31
OPRM1 P35372 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
GPR84 Q9NQS5 2/20 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
SCHEMBL3039522 1.00 TRPA1 (0.39) TRPA1DDAH1GAPDHMAPTADH1B
SCHEMBL905304 0.78 SMPD1 (0.38) TRPA1DDAH1GAPDHMAPTADH1B
SCHEMBL6722207 0.77
SCHEMBL31220927 0.77 SMPD1 (0.45) TRPA1DDAH1GAPDHMAPTADH1B
SCHEMBL28188689 0.77 ADH1B (0.40) TRPA1DDAH1GAPDHMAPTADH1B
SCHEMBL3029587 0.77 ADH1B (0.40) TRPA1DDAH1GAPDHMAPTADH1B
SCHEMBL10072076 0.77 ADH1B (0.40) TRPA1DDAH1GAPDHMAPTADH1B
SCHEMBL13639178 0.76 ADH1B (0.38) TRPA1DDAH1GAPDHMAPTADH1B
SCHEMBL3034862 0.76 SMPD1 (0.34) TRPA1DDAH1GAPDHMAPTADH1B
SCHEMBL3039520 0.76 SMPD1 (0.34) TRPA1DDAH1GAPDHMAPTADH1B

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 TRPA1 3514/4885DDAH1 1072/4885GAPDH 2149/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 TRPA1 3514/4885DDAH1 1072/4885GAPDH 2149/4885

“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.