SCHEMBL4113582

SCHEMBL4113582

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
PRNP P04156 1/20 0.49
RECQL P46063 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PRSS1 P07477 8/20 0.44
TMPRSS15 P98073 8/20 0.44
HPGD P15428 3/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
FFAR1 O14842 2/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MAPT P10636 1/20 0.37

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 0.84 CYP4F2 (0.51) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL344335 0.83 HPGD (0.40) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL2160001 0.83 CYP4F2 (0.40) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL4118591 0.82 CYP4A11 (0.45) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL1889333 0.80 TDP1 (0.51) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL15486125 0.80 ALDH1A1 (0.40) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL1310602 0.80 ALDH1A1 (0.40) ALDH1A1LMNAPRSS1TMPRSS15HPGD
SCHEMBL13871624 0.79 HPGD (0.44) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL8565291 0.79 LMNA (0.49) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL8545140 0.78 CA12 (0.50) ALDH1A1LMNATDP1HPGDCYP4F2

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 ALDH1A1 3109/4885LMNA 2765/4885PRNP 4453/4885

“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.