SCHEMBL565462

SCHEMBL565462

CCCCCCCCOc1ccc(C#CC2(NC(=O)OC(C)(C)C)COC(C)(C)OC2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.37
FAAH O00519 3/20 0.37
CNR1 P21554 2/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
EPHX2 P34913 4/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
ALOX15 P16050 1/20 0.32
RARA P10276 2/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
SMPD1 P17405 1/20 0.31
MEN1 O00255 1/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL566980 0.90 PPARG (0.39) CNR2FAAHCNR1PPARGPPARD
SCHEMBL2467358 0.83 ALDH1A1 (0.45)
SCHEMBL2468973 0.83 ALDH1A1 (0.45)
SCHEMBL13851976 0.81 SMPD1 (0.33) CNR2FAAHTHRATHRBSMPD1
SCHEMBL4147229 0.80 SMPD1 (0.31) SMPD1
SCHEMBL4142861 0.80 SMPD1 (0.31) SMPD1
SCHEMBL4147242 0.80 SMPD1 (0.31) SMPD1
SCHEMBL4142868 0.80 SMPD1 (0.31) SMPD1
SCHEMBL8568116 0.73 PPARG (0.46) CNR2FAAHCNR1PPARGPPARD
SCHEMBL8570912 0.73 PPARG (0.46) CNR2FAAHCNR1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 CNR2 35/4885FAAH 710/4885CNR1 24/4885

“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.