SCHEMBL3040487

SCHEMBL3040487

CCC(CCCC(C)C)OC=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CTSK P43235 2/20 0.34
BLM P54132 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPN1 P18031 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
SCHEMBL4138238 0.83 CTSK (0.47) CTSKTSHRSMN1; SMN2
SCHEMBL276891 0.81 CTSK (0.42) CTSKTSHRSMN1; SMN2
SCHEMBL29655326 0.81 CTSK (0.42) CTSKTSHRSMN1; SMN2
SCHEMBL18187976 0.79 ADH1B (0.42) LMNACTSKTSHRSMN1; SMN2
SCHEMBL76606 0.79 ADH1B (0.42) LMNACTSKTSHRSMN1; SMN2
SCHEMBL18188004 0.79 ADH1B (0.42) LMNACTSKTSHRSMN1; SMN2
SCHEMBL28553530 0.79 ADH1B (0.42) LMNACTSKTSHRSMN1; SMN2
SCHEMBL18188022 0.79 ADH1B (0.42) LMNACTSKTSHRSMN1; SMN2
SCHEMBL3040229 0.79 ADH1B (0.42) LMNACTSKTSHRSMN1; SMN2
Ethane SCHEMBL28250178 0.79 CTSK (0.41) CTSKTSHRSMN1; SMN2

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 LMNA 1804/4885CTSK 4594/4885BLM 585/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 LMNA 1804/4885CTSK 4594/4885BLM 585/4885

“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.