SCHEMBL3040106

SCHEMBL3040106

CCCCC(CCC)CO[C]=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA2 P00918 5/20 0.39
CA1 P00915 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 5/20 0.35
RECQL P46063 1/20 0.32
LMNA P02545 2/20 0.31
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL5739082 0.94 LMNA (0.39) CYP3A4L3MBTL1CA2CA1CA12
SCHEMBL22342662 0.91 CA12 (0.45) CA2CA1CA12CA7CA14
SCHEMBL23360658 0.90 LMNA (0.43) CYP3A4L3MBTL1CA2TSHRTDP1
SCHEMBL8634225 0.89 LMNA (0.41) CYP3A4L3MBTL1CA1TSHRTDP1
SCHEMBL7204580 0.88 LMNA (0.45) CYP3A4L3MBTL1LMNAFDPS
SCHEMBL7209537 0.88 LMNA (0.45) CYP3A4L3MBTL1LMNAFDPS
SCHEMBL96307 0.88 CYP3A4 (0.55) CYP3A4L3MBTL1CA2TSHRTDP1
SCHEMBL7205358 0.88 LMNA (0.45) CYP3A4L3MBTL1LMNAFDPS
SCHEMBL10528837 0.83 CYP3A4 (0.36) CYP3A4L3MBTL1CA2CA1CA12
SCHEMBL8794021 0.83 CYP3A4 (0.39) CYP3A4L3MBTL1CA2CA1CA12

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 CYP3A4 2543/4885L3MBTL1 1451/4885CA2 1345/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 CYP3A4 2543/4885L3MBTL1 1451/4885CA2 1345/4885

“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.