SCHEMBL3035858

SCHEMBL3035858

CCCCCC(C)(CC)OC=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
FDPS P14324 11/20 0.36
GGPS1 O95749 7/20 0.36
SMPD1 P17405 5/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL276523 0.94 TDP1 (0.39) TDP1FDPSTSHR
SCHEMBL27281363 0.89 GGPS1 (0.42) TDP1FDPSGGPS1SMPD1LPAR1
SCHEMBL27282120 0.89 GGPS1 (0.42) TDP1FDPSGGPS1SMPD1LPAR1
SCHEMBL4675077 0.85 TDP1 (0.42) TDP1FDPS
SCHEMBL16482001 0.82 TDP1 (0.36) TDP1TSHR
SCHEMBL16481924 0.81 TDP1 (0.32) TDP1
SCHEMBL3040498 0.81 TDP1 (0.39) TDP1FDPSTSHR
SCHEMBL21596548 0.80 MEN1 (0.37) TDP1
SCHEMBL16482206 0.80 MEN1 (0.34) TDP1TSHR
SCHEMBL271288 0.79

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 TDP1 775/4885FDPS 2126/4885GGPS1 1697/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 TDP1 775/4885FDPS 2126/4885GGPS1 1697/4885

“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.