SCHEMBL565053

SCHEMBL565053

CCOc1ccc(-c2nc(-c3ccc(C4=CCNCC4)cc3)no2)cc1OCC

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.64
KDM4E B2RXH2 2/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
S1PR1 P21453 17/20 0.63
S1PR3 Q99500 9/20 0.63
MAPT P10636 2/20 0.63
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL566785 0.79 HSD17B10 (0.80) HSD17B10KDM4ENPC1RAB9AS1PR1
SCHEMBL14327929 0.79 HSD17B10 (0.80) HSD17B10KDM4ENPC1RAB9AS1PR1
SCHEMBL13416527 0.79 HSD17B10 (1.00) HSD17B10KDM4ENPC1RAB9AS1PR1
SCHEMBL29477259 0.78 S1PR1 (1.00) HSD17B10KDM4ENPC1RAB9AS1PR1
SCHEMBL13417065 0.78 S1PR1 (1.00) HSD17B10KDM4ENPC1RAB9AS1PR1
SCHEMBL13417137 0.77 S1PR1 (1.00) HSD17B10KDM4ENPC1RAB9AS1PR1
SCHEMBL566042 0.76 S1PR1 (1.00) HSD17B10KDM4ENPC1RAB9AS1PR1
SCHEMBL13416834 0.76 S1PR1 (1.00) HSD17B10KDM4ENPC1RAB9AS1PR1
SCHEMBL13416964 0.76 S1PR1 (1.00) HSD17B10KDM4ENPC1RAB9AS1PR1
SCHEMBL13416929 0.74 S1PR1 (1.00) HSD17B10KDM4ENPC1RAB9AS1PR1

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 HSD17B10 3346/4885KDM4E 1701/4885NPC1 509/4885

“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.