SCHEMBL16646517

SCHEMBL16646517

CCCCOC[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(O)O1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ SPHK1 Q9NYA1 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RORC P51449 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL19829018 0.78 RORC (0.43) SMN1; SMN2RORCGPR119
SCHEMBL16643748 0.78 RORC (0.43) SMN1; SMN2RORCGPR119
SCHEMBL16646519 0.78 ALDH1A1 (0.42) PDK1SMN1; SMN2NR1H2ALDH1A1TDP1
SCHEMBL16646469 0.78 ALDH1A1 (0.42) PDK1SMN1; SMN2NR1H2ALDH1A1TDP1
SCHEMBL8140489 0.78 PDK1 (0.54) PDK1SMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL17897027 0.78 PDK1 (0.54) PDK1SMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL16646516 0.77 PDK1 (0.40) PDK1SMN1; SMN2NR1H2ALDH1A1TDP1
SCHEMBL16646329 0.76 PDK1 (0.41) PDK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14395365 0.71 GPR119 (0.51) GPR119RECQL
SCHEMBL20084 0.71 MEN1 (0.39) SMN1; SMN2NR1H2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 — — US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 — — US disclosed
WO-2015057659-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 — — WO disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 — — 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 (2 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-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 PDK1 3299/4885SMN1; SMN2 4710/4885NR1H2 333/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 PDK1 3299/4885SMN1; SMN2 4710/4885NR1H2 333/4885

“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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