SCHEMBL3035571

SCHEMBL3035571

CC/C=C/CCCCCO[C]=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 6/20 0.53
LPAR3 Q9UBY5 6/20 0.53
LPAR1 Q92633 3/20 0.53
ALDH1A1 P00352 4/20 0.42
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
MAPT P10636 2/20 0.42
CYP19A1 P11511 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
OXER1 Q8TDS5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
FFAR1 O14842 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PLA2G1B P04054 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3031132 1.00 LPAR2 (0.53) LPAR2LPAR3LPAR1ALDH1A1F7
SCHEMBL2889638 0.88 FAAH (0.52) LPAR2LPAR3LPAR1MAPTALOX15
SCHEMBL3029528 0.86 LPAR3 (0.42) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL3045079 0.86 LPAR3 (0.42) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL97283 0.83
SCHEMBL97284 0.83
SCHEMBL3038091 0.82 LPAR2 (0.34) LPAR2LPAR3LPAR1F7F3
SCHEMBL3024776 0.82 LPAR2 (0.34) LPAR2LPAR3LPAR1F7F3
SCHEMBL3035329 0.79 LPAR3 (0.44) LPAR2LPAR3LPAR1F7F3
SCHEMBL3035566 0.79 LPAR3 (0.44) LPAR2LPAR3LPAR1F7F3

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 LPAR2 2934/4885LPAR3 2306/4885LPAR1 2368/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 LPAR2 2934/4885LPAR3 2306/4885LPAR1 2368/4885

“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.