SCHEMBL566216

SCHEMBL566216

CC(N)Cc1ccc(OC(C)C)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.38
S1PR1 P21453 1/20 0.37
PNMT P11086 1/20 0.37
TAAR1 Q96RJ0 4/20 0.37
CSNK2A1 P68400 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PPARD Q03181 1/20 0.35

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
SCHEMBL565403 0.85 KDM4E (0.40) HDAC11S1PR1TAAR1CSNK2A1
SCHEMBL7691709 0.82 HDAC11 (0.42) HDAC11S1PR1CSNK2A1PPARGPPARA
SCHEMBL566214 0.80 POLB (0.43) HDAC11S1PR1PPARGPPARA
SCHEMBL10139272 0.78 S1PR1 (0.39) HDAC11S1PR1
SCHEMBL8651198 0.77 HDAC11 (0.39) HDAC11S1PR1CSNK2A1PPARGPPARA
Hydrochloric Acid SCHEMBL566087 0.77 S1PR1 (0.39) HDAC11S1PR1
SCHEMBL566215 0.77 HDAC11 (0.38) HDAC11S1PR1TAAR1CSNK2A1HTR2A
SCHEMBL566710 0.77 HDAC11 (0.41) HDAC11S1PR1
SCHEMBL566304 0.74 KDM4E (0.40) HDAC11TAAR1CSNK2A1
SCHEMBL566311 0.74 CNR1 (0.42) HDAC11S1PR1CSNK2A1PPARGPPARA

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 1612/4885S1PR1 1/4885PNMT 1964/4885

“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.