SCHEMBL956239

SCHEMBL956239

CCOC(=O)CC1(C(C)C)OCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 9/20 0.36
TRPA1 O75762 1/20 0.36
LMNA P02545 4/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 3/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
RAB9A P51151 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL116639 0.81 MGAM (0.37) GAAMGAMSIMGAM2TSHR
SCHEMBL16204253 0.77 GAA (0.44) GAAMGAMSIMGAM2KMT2A
SCHEMBL180341 0.76 CTDSP1 (0.47) GAAMGAMSIMGAM2KMT2A
SCHEMBL10207770 0.74 GAA (0.41) GAAMGAMSIMGAM2KMT2A
SCHEMBL10325796 0.73 CYP3A4 (0.37) GAAMGAMSIMGAM2KMT2A
SCHEMBL6983056 0.71 GAA (0.39) GAAMGAMSIMGAM2KMT2A
SCHEMBL10207669 0.71 GAA (0.39) GAAMGAMSIMGAM2KMT2A
SCHEMBL27551189 0.71 GAA (0.34) GAAMGAMSIMGAM2KMT2A
SCHEMBL8467592 0.70 RAB9A (0.43) GAAMGAMSIMGAM2KMT2A
SCHEMBL16948227 0.70 GAA (0.38) GAAMGAMSIMGAM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
US-5789432-A Aromatase-inhibiting composition containing azole derivative KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-08-04 US disclosed
US-5726196-A TREATING BREAST CANCER, BENIGN BREAST DISEASE, UTERINE CANCER, PANCREATIC CRCINOMA, CUSHING'S SYNDROME NIIMURA KOICHI (JP) 1998-03-10 US disclosed
EP-0654265-A1 Aromatase-inhibiting composition containing azole derivative KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-05-24 EP 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 GAA 1359/4885MGAM 2039/4885SI 282/4885

“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.