SCHEMBL3034552

SCHEMBL3034552

CCCCC(C)C(C)(C)OC=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSK P43235 4/20 0.38
TDP1 Q9NUW8 1/20 0.36
FDPS P14324 2/20 0.35
CA2 P00918 4/20 0.33
CA1 P00915 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
CYP3A4 P08684 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC15A1 P46059 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
SCHEMBL27783247 0.94 ADH1B (0.40) TSHRSMN1; SMN2CTSKTDP1FDPS
SCHEMBL28331624 0.92 ADH1B (0.43) TSHRSMN1; SMN2FDPSCA2ADH1B
SCHEMBL28310722 0.92 ADH1B (0.43) TSHRSMN1; SMN2FDPSCA2ADH1B
SCHEMBL27639609 0.82 FDPS (0.38) TSHRSMN1; SMN2CTSKTDP1FDPS
SCHEMBL28020433 0.77 FDPS (0.41) TSHRSMN1; SMN2CTSKTDP1FDPS
SCHEMBL11139357 0.76 DNM1 (0.35) TSHRSMN1; SMN2CTSKTDP1FDPS
SCHEMBL28969320 0.76 DNM1 (0.35) TSHRSMN1; SMN2CTSKTDP1FDPS
SCHEMBL27766956 0.76 FDPS (0.43) TSHRSMN1; SMN2CTSKFDPSCA2
SCHEMBL27498208 0.76 FDPS (0.43) TSHRSMN1; SMN2CTSKFDPSCA2
SCHEMBL1030588 0.73 CYP3A4 (0.41) TSHRSMN1; SMN2FDPSCA2CA1

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 TSHR 2498/4885SMN1; SMN2 1045/4885CTSK 4594/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 TSHR 2498/4885SMN1; SMN2 1045/4885CTSK 4594/4885

“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.