SCHEMBL6537752

SCHEMBL6537752

O=C1CC(=O)C12CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ EPHX2 P34913 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL2988750 0.89 KDM4E (0.34) ALDH1A1EPHX2KDM4EL3MBTL1
SCHEMBL2982384 0.83 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL2988042 0.83 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL2015392 0.68 ALDH1A1 (0.35) ALDH1A1L3MBTL1
SCHEMBL2015391 0.68 ALDH1A1 (0.35) ALDH1A1L3MBTL1
SCHEMBL6757690 0.66 CRBN (0.36) ALDH1A1L3MBTL1
SCHEMBL6757693 0.66 CRBN (0.36) ALDH1A1L3MBTL1
SCHEMBL9247017 0.65 CA1 (0.39) ALDH1A1
SCHEMBL29328920 0.65 CRBN (0.33) ALDH1A1
SCHEMBL28962321 0.65 ALDH1A1 (0.53) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 — — 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-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives NPY2R, NPY1R, NPR1 ALDH1A1 1396/4885EPHX2 470/4885KDM4E 1167/4885

“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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