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SCHEMBL80127

SCHEMBL80127

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3ccc(C(F)(F)F)cc3Cl)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 5/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ AAK1 Q2M2I8 2/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ RXRA P19793 4/20 0.33
▸ NR1H2 P55055 3/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ MRGPRX4 Q96LA9 6/20 0.33
▸ PPARG P37231 1/20 0.33
▸ ACLY P53396 1/20 0.32
▸ NR1H3 Q13133 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
SCHEMBL81459 0.94 PPARD (0.36) PPARDPPARAAAK1S1PR1RXRA
SCHEMBL80107 0.90 S1PR1 (0.37) PPARDPPARAS1PR1RXRANR1H2
SCHEMBL81258 0.89 S1PR1 (0.34) AAK1S1PR1MRGPRX4THRATHRB
SCHEMBL81546 0.89 S1PR1 (0.36) PPARDPPARAAAK1S1PR1NR1H2
SCHEMBL79514 0.88 S1PR1 (0.34) PPARDPPARAAAK1S1PR1MRGPRX4
SCHEMBL80595 0.88 FFAR4 (0.37) S1PR1RXRARXRBRXRGTHRA
SCHEMBL81776 0.88 S1PR1 (0.36) PPARDPPARAAAK1S1PR1MRGPRX4
SCHEMBL80514 0.87 S1PR1 (0.35) PPARDPPARAAAK1S1PR1NR1H2
SCHEMBL80158 0.87 FFAR1 (0.37) PPARDPPARAS1PR1PPARGTHRA
SCHEMBL80658 0.87 S1PR1 (0.35) PPARDPPARAAAK1S1PR1MRGPRX4

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 PPARD 1369/4885PPARA 601/4885AAK1 2926/4885

“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.