SCHEMBL4167602

SCHEMBL4167602

CCOC(=O)CCc1ccc(F)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
ALOX5 P09917 2/20 0.47
OR51E2 Q9H255 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL30594197 0.89 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNASMN1; SMN2
SCHEMBL2432961 0.89 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNASMN1; SMN2
SCHEMBL491276 0.87 CYP4F2 (0.59) CYP4F2CYP4A11LMNASMN1; SMN2
SCHEMBL8912630 0.85 CYP4F2 (0.58) CYP4F2CYP4A11ALOX5OR51E2ALDH1A1
SCHEMBL22070576 0.85 FFAR1 (0.48) CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL6913578 0.85 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1
Dihydroferulic Acid Ethyl Ester SCHEMBL356300 0.84 ALOX5 (0.67) CYP4F2CYP4A11ALOX5OR51E2ALDH1A1
SCHEMBL8364365 0.84 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1
SCHEMBL17295176 0.83 CYP4F2 (0.55) CYP4F2CYP4A11ALOX5OR51E2ALDH1A1
SCHEMBL5685284 0.83 CALM1 (0.57) CYP4F2CYP4A11ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217027-B2 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-8217027-B2 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-8217027-B2 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
CN-101610674-A Sphingosine-1-phosphate ester receptor stimulating agent and agonist compounds ABBOTT LAB (US) 2009-12-23 CN disclosed
EP-2120575-A1 SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS Abbott Laboratories (US) 2009-11-25 EP disclosed
US-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBVIE INC. 2009-01-29 US disclosed
US-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBVIE INC. 2009-01-29 US disclosed
US-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBVIE INC. 2009-01-29 US disclosed
WO-2008079382-A1 SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
WO-2008079382-A1 SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS ABBOTT LABORATORIES (US) 2008-07-03 WO 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 (1 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-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds S1PR1, S1PR3, S1PR5 CYP4F2 3622/4885CYP4A11 1896/4885ALOX5 1044/4885

“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.