SCHEMBL3034854

SCHEMBL3034854

CCCCC(CCCC)O[C]=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FDPS P14324 1/20 0.34
CA2 P00918 4/20 0.34
CA1 P00915 2/20 0.34
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSK P43235 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
SCHEMBL8697461 0.95 MAPT (0.38) DNM1FDPSCA2CA1MAPT
SCHEMBL3034650 0.95 CTSK (0.36) DNM1TSHRSMN1; SMN2FDPSCA2
SCHEMBL9777154 0.93 MAPT (0.39) FDPSCA1MAPT
SCHEMBL4164184 0.91 MAPT (0.42) DNM1TSHRFDPSMAPT
SCHEMBL22342663 0.91 MAPT (0.42) DNM1TSHRFDPSMAPT
SCHEMBL8371036 0.91 MAPT (0.42) DNM1TSHRFDPSMAPT
SCHEMBL7699553 0.91 MAPT (0.42) DNM1TSHRFDPSMAPT
SCHEMBL4138235 0.91 TSHR (0.37) DNM1TSHRSMN1; SMN2FDPSCA2
SCHEMBL8698384 0.89 CTSK (0.31) CTSK
SCHEMBL7536654 0.89 MAPT (0.31) MAPTALDH1A1TDP1

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 6 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 claimed
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound MATSUDA, AKIRA (JP) 2010-03-04 US claimed
EP-2045256-A1 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2009-04-08 EP claimed
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 DNM1 3797/4885TSHR 2498/4885SMN1; SMN2 1045/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 DNM1 3797/4885TSHR 2498/4885SMN1; SMN2 1045/4885

“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.