SCHEMBL78698

SCHEMBL78698

COc1ccc(CCCOc2ccc(CCC3(NC(=O)OC(C)(C)C)COC(C)(C)OC3)cc2C(F)(F)F)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MTNR1B P49286 5/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
S1PR1 P21453 1/20 0.34
LMNA P02545 1/20 0.34
PTBP1 P26599 1/20 0.33
FKBP1A P62942 1/20 0.33
MTNR1A P48039 4/20 0.33
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 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
SCHEMBL79797 0.92 GAA (0.37) EPHX2ALDH1A1MTNR1BGAAMEN1
SCHEMBL80006 0.91 LMNA (0.35) KDM4EALDH1A1MTNR1BGAAMEN1
SCHEMBL77941 0.90 MTNR1B (0.38) KDM4EALDH1A1MTNR1BMEN1KMT2A
SCHEMBL81869 0.89 S1PR1 (0.36) KDM4EALDH1A1TDP1MTNR1BGAA
SCHEMBL80658 0.88 S1PR1 (0.35) S1PR1PPARGPPARDPPARATHRA
SCHEMBL79110 0.88 S1PR1 (0.35) MEN1KMT2AS1PR1PPARGPPARD
SCHEMBL81142 0.87 PTPN1 (0.36) KDM4EMTNR1BGAAMEN1KMT2A
SCHEMBL80158 0.87 FFAR1 (0.37) GAAMEN1KMT2AS1PR1LMNA
SCHEMBL79753 0.87 S1PR1 (0.35) S1PR1PPARGPPARDPPARATHRA
SCHEMBL80016 0.86 PPARD (0.39) EPHX2S1PR1PPARGPPARDPPARA

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 EPHX2 1272/4885KDM4E 1233/4885ALDH1A1 646/4885

“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.