SCHEMBL20389668

SCHEMBL20389668

CCOC(=O)/C=C/c1cc(C=O)n(C2CCCCO2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.36
▸ TTR P02766 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ACHE P22303 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL23429695 0.78 CYP4F2 (0.43) MGLLTTRDPP4CYP4F2CYP4A11
SCHEMBL20389670 0.78 ALDH1A1 (0.38) CYP4F2CYP4A11GAAALDH1A1RXRA
SCHEMBL20408353 0.77 RXRA (0.35) MGLLCYP4F2CYP4A11L3MBTL1KDM4E
SCHEMBL21041292 0.76 GAA (0.38) MGLLCYP4F2CYP4A11TDP1L3MBTL1
SCHEMBL20389671 0.74 RXRA (0.35) MGLLCYP4F2CYP4A11L3MBTL1KDM4E
SCHEMBL30867716 0.74 GAA (0.36) MGLLTTRDPP4CYP4F2CYP4A11
SCHEMBL27329778 0.74 GAA (0.46) CYP4F2CYP4A11GAAALDH1A1RXRA
SCHEMBL12090323 0.74 KDM4E (0.37) MGLLTTRDPP4CYP4F2CYP4A11
SCHEMBL20153695 0.73 RXRA (0.40) MGLLTTRDPP4CYP4F2CYP4A11
SCHEMBL21334896 0.72 NPC1 (0.49) MGLLTTRDPP4CYP4F2CYP4A11

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-20180208588-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2018-07-26 — — US disclosed
WO-2018132326-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-07-19 — — 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-20180208588-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, CX3CR1 MGLL 3227/4885TTR 4297/4885DPP4 3025/4885

“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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