SCHEMBL566910

SCHEMBL566910

CC(C)Oc1ccc(CCN(C)CC2(NC(=O)O)COC(C)(C)OC2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.38
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
S1PR1 P21453 2/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
PPARG P37231 4/20 0.32
PPARA Q07869 4/20 0.32
KMT2A Q03164 2/20 0.32
GPR55 Q9Y2T6 1/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 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
SCHEMBL566773 0.76 HDAC11 (0.35) HDAC11CASP1CASP3CASP7CASP6
SCHEMBL566242 0.73 HDAC11 (0.37) HDAC11S1PR1POLBSMN1; SMN2RARA
SCHEMBL566953 0.73 HDAC11 (0.33) HDAC11S1PR1POLBSMN1; SMN2RARA
SCHEMBL566214 0.70 POLB (0.43) HDAC11S1PR1KDM4EPOLBSMN1; SMN2
SCHEMBL565403 0.70 KDM4E (0.40) HDAC11S1PR1KDM4EPOLBSMN1; SMN2
SCHEMBL565412 0.69 POLB (0.45) HDAC11S1PR1POLBSMN1; SMN2PPARG
SCHEMBL10139272 0.68 S1PR1 (0.39) HDAC11S1PR1RARARARBRARG
SCHEMBL7691709 0.68 HDAC11 (0.42) HDAC11S1PR1RARARARBRARG
Hydrochloric Acid SCHEMBL566087 0.67 S1PR1 (0.39) HDAC11S1PR1RARARARBRARG
SCHEMBL7689447 0.67 RARB (0.59) HDAC11KDM4ESMN1; SMN2RARARARB

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 HDAC11 1612/4885CASP1 1437/4885CASP3 1101/4885

“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.