SCHEMBL565245

SCHEMBL565245

CC(C)Oc1cc(C=O)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 5/20 0.43
ALDH1A3 P47895 2/20 0.41
RARB P10826 5/20 0.39
RARA P10276 5/20 0.39
RARG P13631 4/20 0.39
HDAC2 Q92769 2/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
TRIM24 O15164 1/20 0.35
HPGD P15428 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL566879 0.89 HDAC11 (0.48) HDAC11ALDH1A3RARBRARARARG
SCHEMBL8521094 0.85 ALDH1A1 (0.51) HDAC11ALDH1A3RARBRARARARG
SCHEMBL566302 0.82 VCP (0.46) HDAC11RARBRARARARGHDAC2
SCHEMBL566301 0.82 VCP (0.46) HDAC11RARBRARARARGHDAC2
SCHEMBL8394248 0.81 HDAC11 (0.37) HDAC11RARBRARARARGHDAC2
SCHEMBL8394244 0.78 RARA (0.38) HDAC11RARBRARARARGHDAC2
SCHEMBL8398381 0.78 RARB (0.37) HDAC11ALDH1A3RARBRARARARG
SCHEMBL178043 0.76 RARA (0.58) HDAC11ALDH1A3RARBRARARARG
SCHEMBL566311 0.76 CNR1 (0.42) HDAC11RARBRARARARGTDP1
SCHEMBL574996 0.75 MAPT (0.49) HDAC11RARBRARARARGALDH1A1

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 1612/4885ALDH1A3 3847/4885RARB 3838/4885

“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.