SCHEMBL566714

SCHEMBL566714

COc1ccc(-c2ccc(C#CC3(NC(=O)O)COC(C)(C)OC3)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.49
HDAC11 Q96DB2 5/20 0.49
RARA P10276 5/20 0.49
RARG P13631 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HDAC2 Q92769 2/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
PGR P06401 1/20 0.49
HSPD1 P10809 1/20 0.49
GOT1 P17174 1/20 0.49
GLRA1 P23415 1/20 0.49
BLM P54132 1/20 0.49
HSPE1 P61604 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC7 Q8WUI4 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC1 Q13547 1/20 0.48

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 0.81 PPARG (0.39) RARBHDAC11RARARARGMEN1
SCHEMBL10015639 0.78 RARB (0.61) RARBHDAC11RARARARGMEN1
SCHEMBL10015638 0.77 HDAC11 (0.60) RARBHDAC11RARARARGMEN1
SCHEMBL14027627 0.72 RARB (0.82) RARBHDAC11RARARARGMEN1
SCHEMBL565462 0.72 CNR2 (0.37) RARBRARARARGMEN1KMT2A
SCHEMBL641031 0.71 RARB (0.67) RARBHDAC11RARARARGMEN1
SCHEMBL25200687 0.71 RARB (0.69) RARBHDAC11RARARARGMEN1
SCHEMBL10046722 0.71 HDAC11 (0.62) RARBHDAC11RARARARGMEN1
SCHEMBL8776315 0.70 RARB (0.64) RARBHDAC11RARARARGMEN1
SCHEMBL8616987 0.70 RARA (0.65) RARBHDAC11RARARARGMEN1

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 RARB 3838/4885HDAC11 1612/4885RARA 4192/4885

“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.