SCHEMBL4301014

SCHEMBL4301014

CC(C)OC(=O)c1ccc(CCN[C@H](CCO)CO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.51
CYP4F2 P78329 2/20 0.51
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL4254643 0.78 CYP4A11 (0.58) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL3977225 0.70 CYP4A11 (1.00) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL11171618 0.69 CYP4A11 (0.63) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL13871617 0.68
SCHEMBL14655127 0.68 PRKCA (0.44) NPC1RAB9APDCD1CD274SMN1; SMN2
SCHEMBL5256710 0.68 CYP4A11 (0.75) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL11171613 0.66 CYP4A11 (0.63) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL14966183 0.66 SLC6A4 (0.35) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL22198331 0.65 CYP4A11 (0.61) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL1926547 0.65 NPC1 (0.47) NPC1RAB9APDCD1CD274SMN1; 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 2 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

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.