SCHEMBL3034928

SCHEMBL3034928

CCCCC(O[C]=O)C(C)CC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.33
CA1 P00915 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPM8 Q7Z2W7 5/20 0.32
CYP3A4 P08684 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
ATM Q13315 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
SCHEMBL8975852 0.92 SMPD1 (0.38) TRPM8
SCHEMBL7611323 0.86 SMPD1 (0.39) CA2CA1
SCHEMBL3038654 0.86 TSHR (0.34) CA2CA1TSHRSMN1; SMN2TRPM8
SCHEMBL8534554 0.84 SMPD1 (0.40) CA1
SCHEMBL5238657 0.81
SCHEMBL3037179 0.79 METAP1 (0.34)
SCHEMBL3024803 0.78 OPRM1 (0.38) CA1TRPM8
SCHEMBL9750892 0.76 ALDH1A1 (0.36) CA2CA1TSHRSMN1; SMN2CYP3A4
SCHEMBL3042493 0.75
SCHEMBL93126 0.74

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 CA2 1345/4885CA1 2343/4885TSHR 2498/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 CA2 1345/4885CA1 2343/4885TSHR 2498/4885

“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.