SCHEMBL2786701

SCHEMBL2786701

CNCc1cccc(OCCCN(C)CCC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 12/20 0.50
▸ ACHE P22303 7/20 0.47
▸ BCHE P06276 4/20 0.47
▸ FDPS P14324 1/20 0.43

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
SCHEMBL2788674 0.88 LTA4H (0.49) LTA4HACHEBCHEFDPS
SCHEMBL17156985 0.87 LTA4H (0.66) LTA4HACHEBCHE
SCHEMBL2787271 0.83 LTA4H (0.45) LTA4HACHEBCHEFDPS
SCHEMBL24675197 0.82 KDM4E (0.43) —
SCHEMBL24674865 0.82 KDM4E (0.43) —
SCHEMBL2790125 0.79 ACHE (0.43) LTA4HACHEBCHE
SCHEMBL12972944 0.77 LTA4H (0.39) LTA4HACHEBCHEFDPS
SCHEMBL29508453 0.76 ROCK2 (0.55) ACHE
SCHEMBL21345579 0.76 ROCK2 (0.55) ACHE
SCHEMBL12972910 0.75 ACHE (0.41) LTA4HACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240501-B1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR FOR TARGETING BONE TISSUE UNIV NANTES (FR) 2015-10-14 — — EP disclosed
US-8361993-B2 Hydroxy-bisphosphonic acid derivatives as vector targeting bone tissue UNIVERSITE DE NANTES (FR) 2013-01-29 — — US disclosed
US-8361993-B2 Hydroxy-bisphosphonic acid derivatives as vector targeting bone tissue UNIVERSITE DE NANTES (FR) 2013-01-29 — — US disclosed
US-8361993-B2 Hydroxy-bisphosphonic acid derivatives as vector targeting bone tissue UNIVERSITE DE NANTES (FR) 2013-01-29 — — US disclosed
US-20100311695-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR TARGETING BONE TISSUE UNIVERSITE DE NANTES 2010-12-09 — — US disclosed
US-20100311695-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR TARGETING BONE TISSUE UNIVERSITE DE NANTES 2010-12-09 — — US disclosed
US-20100311695-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR TARGETING BONE TISSUE UNIVERSITE DE NANTES 2010-12-09 — — US disclosed
WO-2009083614-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR FOR TARGETING BONE TISSUE UNIVERSITE DE NANTES (FR) 2009-07-09 — — 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-20100311695-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR TARGETING BONE TISSUE BPGM, SOST, PTH1R LTA4H 2236/4885ACHE 4870/4885BCHE 3344/4885

“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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