SCHEMBL565429

SCHEMBL565429

CCCCCCCCOc1ccc(I)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.42
CNR1 P21554 3/20 0.42
FAAH O00519 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
RARA P10276 3/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
PGR P06401 1/20 0.37
HSPD1 P10809 1/20 0.37
GOT1 P17174 1/20 0.37
GLRA1 P23415 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37

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
SCHEMBL9331929 0.85 CNR2 (0.42) CNR2CNR1FAAHPPARGPPARD
SCHEMBL9133374 0.81 RARA (0.55) CNR2CNR1FAAHPPARGPPARD
Hydrochloric Acid SCHEMBL9133769 0.81 RARA (0.54) CNR2CNR1FAAHPPARGPPARD
SCHEMBL9133759 0.81 PPARG (0.49) CNR2CNR1FAAHPPARGPPARD
SCHEMBL12309820 0.79 LMNA (0.41) CNR2CNR1FAAHPPARGPPARD
SCHEMBL8569006 0.79 PPARG (0.39) CNR2CNR1FAAHPPARGPPARD
SCHEMBL565321 0.78 RARA (0.51) CNR2RARARARBRARGMEN1
SCHEMBL12309424 0.76 HIF1A (0.41) CNR2CNR1FAAHPPARGPPARD
SCHEMBL8572824 0.75 CNR2 (0.41) CNR2CNR1FAAHPPARGPPARD
SCHEMBL8569000 0.75 CNR2 (0.38) CNR2CNR1FAAHPPARGPPARD

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 35/4885CNR1 24/4885FAAH 710/4885

“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.