SCHEMBL80885

SCHEMBL80885

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
S1PR1 P21453 1/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
SCD O00767 1/20 0.33
GLS O94925 3/20 0.33
SCN9A Q15858 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
KCNH2 Q12809 1/20 0.32
CNR1 P21554 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
VNN1 O95497 1/20 0.32
AMPD2 Q01433 1/20 0.32

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
SCHEMBL77941 0.93 MTNR1B (0.38) S1PR1
SCHEMBL80016 0.93 PPARD (0.39) PPARGPPARDPPARAS1PR1THRA
SCHEMBL81897 0.92 S1PR1 (0.37) PPARGPPARDPPARAS1PR1GLS
SCHEMBL80424 0.91 PPARG (0.38) PPARGPPARDPPARAS1PR1THRA
SCHEMBL80595 0.90 FFAR4 (0.37) S1PR1SCDGLSTHRATHRB
SCHEMBL79846 0.90 S1PR1 (0.35) PPARGPPARDPPARAS1PR1GLS
SCHEMBL80104 0.90 S1PR1 (0.35) PPARGPPARDPPARAS1PR1GLS
SCHEMBL80214 0.89 S1PR1 (0.35) PPARGPPARDPPARAS1PR1GLS
SCHEMBL79200 0.89 MRGPRX4 (0.38) PPARGPPARDPPARAS1PR1GLS
SCHEMBL81173 0.89 S1PR1 (0.39) PPARGPPARDPPARAS1PR1THRA

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 8 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
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

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 PPARG 1030/4885PPARD 1369/4885PPARA 601/4885

“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.