SCHEMBL993104

SCHEMBL993104

C#CC(C)(C)C(=O)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44
TSHR P16473 5/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX1 P07099 1/20 0.36
ESR1 P03372 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 6/20 0.35

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
SCHEMBL20136923 0.79 CYP4F2 (0.46) ALDH1A1TSHRLMNACYP1A2
SCHEMBL3412121 0.78 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL126843 0.77 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6058509 0.77 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL12641119 0.76 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL19359962 0.76 CYP4F2 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
Hydrochloric Acid SCHEMBL18492368 0.76 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8199745 0.75 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL4672427 0.75 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL5806837 0.75 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2

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
US-8883778-B2 Cyclic inhibitors of 11 beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8883778-B2 Cyclic inhibitors of 11 beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8883778-B2 Cyclic inhibitors of 11 beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2448928-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
EP-2448928-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-20120232050-A1 Cyclic Inhibitors of 11 beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-20120232050-A1 Cyclic Inhibitors of 11 beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-20120232050-A1 Cyclic Inhibitors of 11 beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
EP-2448928-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
WO-2011002910-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
WO-2011002910-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2011-01-06 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-20120232050-A1 Cyclic Inhibitors of 11 beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD11B2 ALDH1A1 141/4885ATM 4627/4885TSHR 2277/4885

“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.