SCHEMBL565811

SCHEMBL565811

CC1(C)OCC(CN2CCc3cc(OCc4cc5c(Cl)cc(Cl)cc5o4)ccc32)(NC(=O)O)CO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.58
POLB P06746 4/20 0.32
SLC26A4 O43511 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACHE P22303 1/20 0.32
SRD5A1 P18405 2/20 0.31
S1PR5 Q9H228 2/20 0.31
S1PR3 Q99500 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ACLY P53396 1/20 0.31
HSP90AA1 P07900 1/20 0.31
FFAR1 O14842 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL566376 0.84 S1PR1 (0.39) S1PR1POLBRAB9ANPC1ALDH1A1
SCHEMBL566485 0.81 S1PR1 (0.36) S1PR1POLBRAB9ANPC1L3MBTL1
SCHEMBL564864 0.78 NOTUM (0.34) POLBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL565044 0.69 ESR2 (0.42) RAB9ANPC1MAPT
SCHEMBL575036 0.68 S1PR1 (0.49) S1PR1L3MBTL1ALDH1A1HSD17B10KDM4E
SCHEMBL565919 0.68 CHRM2 (0.38) L3MBTL1ACHEALDH1A1HSD17B10KDM4E
SCHEMBL566357 0.67 THRB (0.45) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL566494 0.67 CARM1 (0.53) S1PR1L3MBTL1FFAR1
SCHEMBL566293 0.64 S1PR1 (0.43) S1PR1L3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL565928 0.63 NOTUM (0.34) ALDH1A1

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 S1PR1 1/4885POLB 4275/4885SLC26A4 4169/4885

“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.