SCHEMBL362868

SCHEMBL362868

CCOC(=O)C(C(=O)OCC)c1ccc([C@H](CC(=O)c2ccnc(C)c2)c2ccccc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.56
▸ NPC1 O15118 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NR3C2 P08235 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ CTSA P10619 6/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MGAM O43451 3/20 0.36
▸ GAA P10253 3/20 0.36
▸ SI P14410 3/20 0.36
▸ MGAM2 Q2M2H8 3/20 0.36
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1390420 0.89 GPBAR1 (0.57) GPBAR1NPC1KMT2ANR3C2CTSA
SCHEMBL1390422 0.89 GPBAR1 (0.57) GPBAR1NPC1KMT2ANR3C2CTSA
SCHEMBL1389817 0.88 GPBAR1 (0.73) GPBAR1NPC1MEN1KMT2ANR3C2
SCHEMBL1389818 0.88 GPBAR1 (0.73) GPBAR1NPC1MEN1KMT2ANR3C2
SCHEMBL364326 0.88 GPBAR1 (0.73) GPBAR1NPC1MEN1KMT2ANR3C2
SCHEMBL1390447 0.88 GPBAR1 (0.62) GPBAR1MEN1KMT2ANR3C2CTSA
SCHEMBL1390446 0.88 GPBAR1 (0.62) GPBAR1MEN1KMT2ANR3C2CTSA
SCHEMBL1390326 0.87 GPBAR1 (0.52) GPBAR1NPC1MEN1KMT2ANR3C2
SCHEMBL1390551 0.86 GPBAR1 (0.51) GPBAR1NPC1MEN1KMT2ANR3C2
SCHEMBL1390535 0.86 GPBAR1 (0.60) GPBAR1MEN1KMT2ANR3C2CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 — — US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 — — 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885NPC1 1074/4885MEN1 1315/4885

“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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