SCHEMBL4118591

SCHEMBL4118591

CC(C)OC(=O)c1ccc(CCCO)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.45
CYP4F2 P78329 1/20 0.45
HPGD P15428 3/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
PRNP P04156 1/20 0.42
RECQL P46063 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 4/20 0.37
PRSS1 P07477 3/20 0.36

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
SCHEMBL2160110 0.91 CYP4F2 (0.51) CYP4A11CYP4F2HPGDALDH1A1LMNA
SCHEMBL344335 0.86 HPGD (0.40) CYP4A11CYP4F2HPGDALDH1A1LMNA
SCHEMBL13871624 0.85 HPGD (0.44) CYP4A11CYP4F2HPGDALDH1A1LMNA
SCHEMBL2160001 0.83 CYP4F2 (0.40) CYP4A11CYP4F2HPGDALDH1A1LMNA
SCHEMBL2162296 0.83 HPGD (0.52) CYP4A11CYP4F2HPGDALDH1A1LMNA
SCHEMBL15486125 0.83 ALDH1A1 (0.40) CYP4A11CYP4F2HPGDALDH1A1LMNA
SCHEMBL4113582 0.82 ALDH1A1 (0.49) CYP4A11CYP4F2HPGDALDH1A1LMNA
SCHEMBL13871630 0.81 HPGD (0.38) CYP4A11CYP4F2HPGDALDH1A1LMNA
SCHEMBL2653067 0.80 HDAC3 (0.51) CYP4A11CYP4F2HPGDALDH1A1LMNA
SCHEMBL1310602 0.80 ALDH1A1 (0.40) CYP4A11CYP4F2HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 US disclosed
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 US disclosed
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 US disclosed
EP-1912977-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck Frosst Canada Ltd. (CA) 2008-04-23 EP disclosed
WO-2007014454-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 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-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 CYP4A11 118/4885CYP4F2 1362/4885HPGD 347/4885

“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.