SCHEMBL3034857

SCHEMBL3034857

CCCCC(CCCC)OC=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSK P43235 6/20 0.42
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
DNM1 Q05193 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
FDPS P14324 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
OPRM1 P35372 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
SCHEMBL9407800 0.95 CTSK (0.47) TSHRSMN1; SMN2CTSKPRKCAPRKCD
SCHEMBL3034653 0.95 CTSK (0.47) TSHRSMN1; SMN2CTSKPRKCAPRKCD
SCHEMBL18187974 0.95 TSHR (0.41) TSHRSMN1; SMN2CTSKDNM1FDPS
SCHEMBL18187973 0.93 ADH1B (0.44) TSHRSMN1; SMN2CTSKDNM1FDPS
SCHEMBL18188040 0.93 ADH1B (0.44) TSHRSMN1; SMN2CTSKDNM1FDPS
SCHEMBL18188026 0.93 OPRM1 (0.42) TSHRSMN1; SMN2CTSKFDPSADH1B
SCHEMBL24654117 0.91 ADH1B (0.45) TSHRFDPSADH1BADH1CADH1A
SCHEMBL1614822 0.91 ADH1B (0.45) TSHRFDPSADH1BADH1CADH1A
SCHEMBL18188028 0.91 ADH1B (0.45) TSHRFDPSADH1BADH1CADH1A
SCHEMBL18782878 0.91 ADH1B (0.45) TSHRFDPSADH1BADH1CADH1A

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 9 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 claimed
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound MATSUDA, AKIRA (JP) 2010-03-04 US claimed
EP-2045256-A1 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2009-04-08 EP claimed
US-9580636-B2 Secondary esters, methods of making, and uses thereof CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-02-28 US disclosed
US-20160319178-A1 Secondary Esters, Methods of Making, and Uses Thereof CHEVRON PHILLIPS CHEMICAL COMPANY LP 2016-11-03 US disclosed
WO-2016176243-A1 SECONDARY ESTERS, METHODS OF MAKING, AND USES THEREOF CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2016-11-03 WO disclosed
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.