SCHEMBL3039671

SCHEMBL3039671

C=CCCCCCC(C)OC=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
USP2 O75604 4/20 0.41
CYP3A4 P08684 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.39
ABCC4 O15439 1/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
RECQL P46063 1/20 0.35
CYP2C9 P11712 1/20 0.32

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
SCHEMBL6724838 0.84
SCHEMBL15149813 0.80 ALDH1A1 (0.39) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL9567291 0.79 TSHR (0.46) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL8772233 0.79 TSHR (0.46) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL7863584 0.78 ALDH1A1 (0.38) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL7867267 0.78 ALDH1A1 (0.38) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL7864525 0.78 ALDH1A1 (0.38) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL7863553 0.78 ALDH1A1 (0.38) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL7864524 0.78 ALDH1A1 (0.38) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL2111102 0.78 ADH1B (0.48) ALDH1A1MAPTTSHR

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 ALDH1A1 1284/4885MAPT 4699/4885USP2 4682/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 ALDH1A1 1284/4885MAPT 4699/4885USP2 4682/4885

“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.