SCHEMBL80151

SCHEMBL80151

CC(C)(C)OC(=O)NC1(CCc2ccc(O)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HDAC1 Q13547 1/20 0.32
APP P05067 2/20 0.32
PPIA P62937 1/20 0.32
GLS O94925 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL92908 0.86 HDAC1 (0.32) HDAC1PPIAGLSCYP3A4CYP2C19
SCHEMBL80899 0.85 HDAC1 (0.32) HDAC1PPIAGLSCYP3A4CYP2C19
SCHEMBL80777 0.85 AAK1 (0.31) LMNAPOLBGLS
SCHEMBL78928 0.83 PPARG (0.44) CYP3A4CYP2C19
SCHEMBL2467509 0.83 S1PR1 (0.49)
SCHEMBL4151811 0.83 S1PR1 (0.49)
SCHEMBL81173 0.82 S1PR1 (0.39)
SCHEMBL80868 0.82 PPARG (0.40) CYP3A4CYP2C19
SCHEMBL80107 0.82 S1PR1 (0.37)
SCHEMBL80424 0.82 PPARG (0.38) LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
EP-1961734-B1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-14 EP disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 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 (3 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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 HSD17B10 1140/4885LMNA 4812/4885POLB 3870/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 HSD17B10 1140/4885LMNA 4812/4885POLB 3870/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C HSD17B10 1632/4885LMNA 4378/4885POLB 4082/4885

“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.