SCHEMBL566381

SCHEMBL566381

CC1(C)OCC(C#Cc2ccc(OCCC3=CCC4CC3C4(C)C)cc2)(N(C(=O)O)C(C)(C)C)CO1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 10/20 0.41
KCNH2 Q12809 1/20 0.37
CXCR3 P49682 8/20 0.34
POLB P06746 1/20 0.32
GAA P10253 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
SCHEMBL564867 0.83 TDP1 (0.45) TDP1KCNH2CXCR3POLBGAA
SCHEMBL564868 0.72 APP (0.32)
SCHEMBL566052 0.72 ACACB (0.31)
SCHEMBL565645 0.70 RARB (0.34)
SCHEMBL566292 0.68 CXCR3 (0.55) TDP1KCNH2CXCR3
SCHEMBL566001 0.68 PTGDR (0.34)
Acetic Acid SCHEMBL15140921 0.65 KCNH2 (0.53) TDP1KCNH2CXCR3
SCHEMBL4933865 0.64 KCNH2 (0.55) TDP1KCNH2CXCR3
SCHEMBL9723550 0.64 KCNH2 (0.55) TDP1KCNH2CXCR3
SCHEMBL17627701 0.64 KCNH2 (0.55) TDP1KCNH2CXCR3

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 TDP1 2994/4885KCNH2 3083/4885CXCR3 182/4885

“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.