SCHEMBL86043

SCHEMBL86043

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCC3CCCCC3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.38
S1PR1 P21453 1/20 0.37
PPARG P37231 3/20 0.35
SCN9A Q15858 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ALOX5 P09917 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL79419 0.89 EPHX2 (0.33) HPGDS1PR1GPR119NPC1RAB9A
SCHEMBL2467509 0.87 S1PR1 (0.49) S1PR1PPARGTHRATHRB
SCHEMBL4151811 0.87 S1PR1 (0.49) S1PR1PPARGTHRATHRB
SCHEMBL82318 0.87 S1PR1 (0.35) S1PR1PPARGTHRATHRB
SCHEMBL80868 0.86 PPARG (0.40) HPGDS1PR1PPARGTHRATHRB
SCHEMBL81173 0.86 S1PR1 (0.39) S1PR1PPARGTHRATHRB
SCHEMBL79195 0.86 S1PR1 (0.37) S1PR1PPARGTHRATHRB
SCHEMBL80107 0.86 S1PR1 (0.37) S1PR1PPARGTHRATHRBALOX5
SCHEMBL80424 0.86 PPARG (0.38) S1PR1PPARGTHRATHRB
SCHEMBL81518 0.86 TRPV1 (0.34) S1PR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HPGD 2722/4885S1PR1 511/4885PPARG 1030/4885

“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.