SCHEMBL3043253

SCHEMBL3043253

CCCCC(C)CCO[C]=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.37
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FDPS P14324 1/20 0.30
DNM1 Q05193 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
SCHEMBL3024811 0.94 ACE2 (0.44) ACE2LMNAMAPTCA1FDPS
SCHEMBL3034934 0.92 ACE2 (0.47) ACE2MAPTCA1FDPS
SCHEMBL3024987 0.92 ACE2 (0.37) ACE2LMNAMAPTCA1CA2
SCHEMBL3034084 0.87 TSHR (0.37) TSHR
SCHEMBL8810599 0.83 LMNA (0.52) LMNAFDPS
SCHEMBL3033969 0.83 TSHR (0.34) ACE2LMNATSHR
SCHEMBL8812631 0.83 LMNA (0.52) LMNAFDPS
SCHEMBL532293 0.83 LMNA (0.52) LMNAFDPS
SCHEMBL3024279 0.82 ACE2 (0.36) ACE2LMNATSHR
SCHEMBL530959 0.81 ACE2 (0.33) ACE2LMNA

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 7 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
US-4859759-A Siloxane containing benzotriazolyl/tetraalkylpiperidyl substituent KIMBERLY-CLARK CORPORATION (US) 1989-08-22 US 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 ACE2 1401/4885LMNA 1804/4885MAPT 4699/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 ACE2 1401/4885LMNA 1804/4885MAPT 4699/4885

“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.