SCHEMBL3042489

SCHEMBL3042489

CCCCCC(CC)CCO[C]=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
CA2 P00918 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 3/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ATM Q13315 1/20 0.36
OPRM1 P35372 1/20 0.35
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
SMPD1 P17405 1/20 0.32

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
SCHEMBL23327896 0.90 LMNA (0.43) LMNAPRSS1PRSS2PRSS3MAPT
SCHEMBL20695759 0.90 LMNA (0.43) LMNAPRSS1PRSS2PRSS3MAPT
SCHEMBL16107635 0.86 CA2 (0.32) CYP3A4CA2L3MBTL1
SCHEMBL3030454 0.82 CYP3A4 (0.48) CYP3A4CA2L3MBTL1ALDH1A1TDP1
SCHEMBL3038189 0.82 CYP3A4 (0.36) CYP3A4CA2L3MBTL1ALDH1A1TDP1
SCHEMBL11709947 0.81 LMNA (0.42) CYP3A4CA2L3MBTL1ALDH1A1TDP1
SCHEMBL1110039 0.81 CYP3A4 (0.47) CYP3A4CA2L3MBTL1ALDH1A1TDP1
SCHEMBL11708279 0.81 LMNA (0.42) CYP3A4CA2L3MBTL1ALDH1A1TDP1
SCHEMBL3024811 0.78 ACE2 (0.44) LMNAOPRM1MAPTTP53SMPD1
SCHEMBL530959 0.78 ACE2 (0.33) CYP3A4L3MBTL1LMNA

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 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
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 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 2543/4885CA2 1345/4885L3MBTL1 1451/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 CYP3A4 2543/4885CA2 1345/4885L3MBTL1 1451/4885

“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.