SCHEMBL3029587

SCHEMBL3029587

C=CC(CCCCCC)OC=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
TSHR P16473 2/20 0.35
SMPD1 P17405 3/20 0.35
MAPT P10636 2/20 0.35
TRPA1 O75762 1/20 0.35
DDAH1 O94760 1/20 0.35
GAPDH P04406 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FDPS P14324 3/20 0.34
FFAR1 O14842 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
ABCB1 P08183 1/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 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
SCHEMBL10072076 1.00 ADH1B (0.40) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28188689 1.00 ADH1B (0.40) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17913847 0.86 TSHR (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17913849 0.86 TSHR (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL20377487 0.84 TSHR (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17336784 0.84
SCHEMBL27680176 0.80 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27853253 0.80 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1715275 0.79 TSHR (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL21638858 0.79 TSHR (0.41) ADH1BADH1CADH1AADH4ADH7

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 ADH1B 1955/4885ADH1C 2277/4885ADH1A 3191/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 ADH1B 1955/4885ADH1C 2277/4885ADH1A 3191/4885

“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.