SCHEMBL12737271

SCHEMBL12737271

CCO/C=C(\CC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.42
GLO1 Q04760 1/20 0.42
SOAT1 P35610 1/20 0.41
ALDH1A1 P00352 5/20 0.39
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CYP2C9 P11712 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 3/20 0.34

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
SCHEMBL28450802 1.00 NPSR1 (0.42) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL5531263 1.00 NPSR1 (0.42) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL28400242 0.84 NPSR1 (0.37) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL30788574 0.83 NPSR1 (0.39) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL4051818 0.83 NPSR1 (0.39) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL15424206 0.83 NPSR1 (0.39) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL11325424 0.83 NPSR1 (0.36) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL11325416 0.83 NPSR1 (0.36) NPSR1GLO1SOAT1ALDH1A1CYP2D6
SCHEMBL28537688 0.83 TSHR (0.39) SOAT1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL1622689 0.83 NPSR1 (0.42) NPSR1GLO1SOAT1ALDH1A1CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115133-B2 Substituted fused tricyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (US) 2015-08-25 US disclosed
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US 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 (3 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-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF MALT1, JAK1, ICOS NPSR1 3333/4885GLO1 2073/4885SOAT1 1440/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 NPSR1 3515/4885GLO1 3233/4885SOAT1 1236/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NPSR1 3515/4885GLO1 3233/4885SOAT1 1236/4885

“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.