SCHEMBL4301619

SCHEMBL4301619

CC(C)OC(=O)c1ccc(CCN2C(=O)OCC[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 2/20 0.34
▸ PTGER4 P35408 6/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ PTGER2 P43116 5/20 0.32
▸ PTGER3 P43115 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL4093479 0.85 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1SMN1; SMN2LMNA
SCHEMBL4551977 0.84 HRH1 (0.42) CYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL4300107 0.84 HRH1 (0.42) CYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL4106475 0.81 PTGER4 (0.34) PTGER4PTGER2PTGER3
SCHEMBL4300961 0.81 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1SMN1; SMN2LMNA
SCHEMBL2211707 0.77 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL4254643 0.73 CYP4A11 (0.58) CYP4F2CYP4A11ALDH1A1SMN1; SMN2LMNA
SCHEMBL4080955 0.73 PTGER4 (0.39) CYP4F2CYP4A11LMNAPTGER4PTGER2
SCHEMBL3980166 0.73 PTGER4 (0.39) CYP4F2CYP4A11LMNAPTGER4PTGER2
SCHEMBL4305398 0.73 FKBP1A (0.33) ALDH1A1LMNAHPGDTSHRNPC1

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 CYP4F2 1044/4885CYP4A11 90/4885ALDH1A1 2261/4885

“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.

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