SCHEMBL566611

SCHEMBL566611

CCCc1ccc2oc(CO)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.42
CA2 P00918 4/20 0.42
CA3 P07451 4/20 0.42
CA6 P23280 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CA5B Q9Y2D0 4/20 0.42
CA4 P22748 3/20 0.42
CA5A P35218 2/20 0.42
CA1 P00915 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
IDO1 P14902 3/20 0.39
ALOX5 P09917 2/20 0.39
PTGES O14684 1/20 0.39

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
SCHEMBL12038075 0.88 F2 (0.44) CA12CA2CA3CA6CA7
SCHEMBL17689078 0.87 HDAC6 (0.49) CA12CA2CA3CA6CA7
SCHEMBL566240 0.85 F2 (0.38) CNR1CNR2F2F10FFAR1
SCHEMBL5225410 0.81 CA12 (0.47) CA12CA2CA3CA6CA7
SCHEMBL2250154 0.80 HDAC6 (0.45) CA12CA2CA3CA6CA7
SCHEMBL10968103 0.79 CA12 (0.41) CA12CA2CA3CA6CA7
SCHEMBL16901833 0.78 HDAC6 (0.47) CA12CA2CA3CA6CA7
SCHEMBL18067895 0.77 S1PR1 (0.44) F2F10ALOX5PTGESRAB9A
SCHEMBL5412464 0.75 S1PR1 (0.44) CA12CA2CA3CA6CA7
SCHEMBL21698018 0.75 HRH3 (0.40) HRH3IDO1FFAR1

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 CA12 4777/4885CA2 4166/4885CA3 4856/4885

“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.