SCHEMBL706765

SCHEMBL706765

O=C(O)C1(c2cccc3ccccc23)OCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.39
CXCR5 P32302 1/20 0.38
KIF11 P52732 2/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CDC25B P30305 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL6983419 0.83 KDM4E (0.38) NR4A1NR4A2NR4A3KDM4ETDP1
SCHEMBL11608127 0.83 NR4A1 (0.46) NR4A1NR4A2NR4A3KDM4ETDP1
SCHEMBL11613490 0.77 PTGER4 (0.40) NR4A1NR4A2NR4A3KDM4ETDP1
SCHEMBL6978767 0.74 KMT2A (0.34) NR4A1NR4A2NR4A3KDM4EMAPT
SCHEMBL29237880 0.74 ALDH1A1 (0.44) NR4A1NR4A2NR4A3KDM4ETDP1
SCHEMBL697151 0.74 AKR1C1 (0.48) NR4A1NR4A2NR4A3KDM4ETDP1
SCHEMBL8112531 0.72 AKR1C1 (0.52) NR4A1NR4A2NR4A3TDP1CXCR5
SCHEMBL20592967 0.72 AKR1C1 (0.45) TDP1MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL29137626 0.71 SLC6A3 (0.38) KDM4EMAPTMEN1KMT2ASLC6A2
SCHEMBL31687579 0.70 NR4A1 (0.42) NR4A1NR4A2NR4A3KDM4ETDP1

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-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 NR4A1 3697/4885NR4A2 3583/4885NR4A3 3754/4885

“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.