SCHEMBL3034932

SCHEMBL3034932

CCCCC(OC=O)C(C)CC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSK P43235 6/20 0.37
CA2 P00918 4/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 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
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSH P09668 1/20 0.31
SLC15A1 P46059 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL27428263 0.88 TSHR (0.31) TSHRSMN1; SMN2
SCHEMBL3038658 0.84 TSHR (0.42) TSHRSMN1; SMN2CTSKCA2ALDH1A1
SCHEMBL26558294 0.83 CTSK (0.41) TSHRSMN1; SMN2CTSKCA2ALDH1A1
SCHEMBL5238665 0.81
SCHEMBL28202884 0.79 TSHR (0.40) TSHRSMN1; SMN2CTSKCA2ALDH1A1
SCHEMBL3024808 0.78 ADH1B (0.42) TSHRSMN1; SMN2CTSKCA1ADH1B
SCHEMBL3037181 0.77 METAP1 (0.33)
SCHEMBL9750892 0.76 ALDH1A1 (0.36) TSHRSMN1; SMN2CA2ALDH1A1CYP3A4
SCHEMBL10032162 0.76 PTPN1 (0.42) TSHRSMN1; SMN2CTSKCA2CYP3A4
SCHEMBL3042496 0.75

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.