SCHEMBL5245209

SCHEMBL5245209

O=C(O)C1CN(C(=O)CC2CCCCC2)CCO1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.55
▸ MCHR1 Q99705 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ FAAH O00519 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ BACE1 P56817 4/20 0.35
▸ CTSD P07339 3/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL26999870 0.78 PDK1 (0.61) PDK1KDM4EALDH1A1LMNA
SCHEMBL3951057 0.77 ALDH1A1 (0.49) L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL13829284 0.76 PDK1 (0.55) PDK1ALDH1A1HPGDLMNA
SCHEMBL26999871 0.76 PDK1 (0.46) PDK1MCHR1KDM4EALDH1A1HPGD
SCHEMBL3516619 0.75 PDK1 (0.66) PDK1
SCHEMBL27669802 0.75 PDK1 (0.66) PDK1
SCHEMBL4137922 0.75 PDK1 (0.66) PDK1
SCHEMBL12831 0.74 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL12449689 0.74 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10HPGDBACE1
SCHEMBL5239650 0.74 PDK1 (0.56) PDK1L3MBTL1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778652-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS EntreMed, Inc. (US) 2007-05-02 — — EP disclosed
US-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists ENTREMED, INC. 2006-03-23 — — US disclosed
WO-2006023844-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2006-03-02 — — 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-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists F2RL1, PLAUR, F2R PDK1 4186/4885MCHR1 735/4885L3MBTL1 4373/4885

“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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