SCHEMBL80595

SCHEMBL80595

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3cccc(C(F)(F)F)c3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR1 P21453 1/20 0.35
LMNA P02545 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
NR3C2 P08235 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FAAH O00519 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
MAOB P27338 1/20 0.33
GLS O94925 1/20 0.33
SCD O00767 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
SCHEMBL81897 0.94 S1PR1 (0.37) S1PR1THRATHRBRXRARXRB
SCHEMBL80424 0.93 PPARG (0.38) FFAR4S1PR1LMNATHRATHRB
SCHEMBL80107 0.93 S1PR1 (0.37) KDM4ES1PR1NR3C2THRATHRB
SCHEMBL80104 0.92 S1PR1 (0.35) FFAR4S1PR1THRATHRBGLS
SCHEMBL79846 0.92 S1PR1 (0.35) S1PR1LMNATHRATHRBGLS
SCHEMBL79200 0.92 MRGPRX4 (0.38) FFAR4KDM4ES1PR1THRATHRB
SCHEMBL80214 0.92 S1PR1 (0.35) S1PR1THRATHRBGLS
SCHEMBL77941 0.91 MTNR1B (0.38) HDAC1KDM4ES1PR1
SCHEMBL79272 0.91 S1PR1 (0.37) HDAC1S1PR1THRATHRBRXRA
SCHEMBL80885 0.90 PPARG (0.34) FFAR4S1PR1THRATHRBGLS

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 10 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-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
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
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C FFAR4 1753/4885HDAC1 1877/4885HDAC8 1814/4885

“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.