SCHEMBL81869

SCHEMBL81869

COc1ccc(CCCOc2ccc(CCC3(NC(=O)OC(C)(C)C)COC(C)(C)OC3)cc2C(F)(F)F)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PPARG P37231 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ADRB2 P07550 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AXL P30530 1/20 0.33
PDE4B Q07343 1/20 0.33
TP53 P04637 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
SCHEMBL79110 0.94 S1PR1 (0.35) S1PR1THRATHRBPPARGMAPT
SCHEMBL79797 0.93 GAA (0.37) S1PR1MTNR1BGAAALDH1A1THRA
SCHEMBL80107 0.91 S1PR1 (0.37) S1PR1THRATHRBPPARGKDM4E
SCHEMBL80868 0.91 PPARG (0.40) S1PR1ALDH1A1THRATHRBPPARG
SCHEMBL80424 0.91 PPARG (0.38) S1PR1MTNR1BTHRATHRBPPARG
SCHEMBL81173 0.91 S1PR1 (0.39) S1PR1THRATHRBPPARG
SCHEMBL79195 0.91 S1PR1 (0.37) S1PR1GAATHRATHRBPPARG
SCHEMBL80006 0.91 LMNA (0.35) S1PR1MTNR1BGAAALDH1A1THRA
SCHEMBL77941 0.91 MTNR1B (0.38) S1PR1MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL79544 0.90 S1PR1 (0.36) S1PR1THRATHRBPPARG

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 S1PR1 511/4885MTNR1A 1303/4885MTNR1B 776/4885

“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.