SCHEMBL4254643

SCHEMBL4254643

CC(C)OC(=O)c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.58
CYP4F2 P78329 1/20 0.58
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL23066425 0.82 ESR1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL4741957 0.81 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL17865387 0.81 MLYCD (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL17361238 0.80 PPARG (0.36) CYP4A11CYP4F2NPC1RAB9ASMN1; SMN2
SCHEMBL25439894 0.80 CYP4F2 (0.35) CYP4A11CYP4F2
SCHEMBL4301014 0.78 CYP4A11 (0.51) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL26325231 0.77 PPARA (0.33) CYP4A11CYP4F2
SCHEMBL16610048 0.76 MAPT (0.52) RAB9AALDH1A1LMNAMEN1KMT2A
SCHEMBL22070921 0.76 KMT2A (0.44) CA12CA1CA2CA7CA9
SCHEMBL4741383 0.76 TDP1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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-20090270395-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-10-29 US disclosed
US-20090270395-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-10-29 US disclosed
EP-1912957-A4 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD (CA) 2009-05-13 EP disclosed
EP-1912957-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck Frosst Canada Ltd. (CA) 2008-04-23 EP disclosed
WO-2007014462-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-20090270395-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 CYP4A11 90/4885CYP4F2 1044/4885CA12 4211/4885

“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.