SCHEMBL566565

SCHEMBL566565

CCCc1ccc(O)c(I)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.64
CNR2 P34972 1/20 0.64
ALOX5 P09917 2/20 0.50
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
DRD2 P14416 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MCL1 Q07820 1/20 0.45
IAPP P10997 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL11155646 0.88 NPC1 (0.55) CNR1CNR2CYP3A4HIF1AHSD17B10
SCHEMBL20047782 0.86 KAT8 (0.57) CNR1CNR2CYP3A4HIF1AHSD17B10
SCHEMBL18676879 0.85 KAT8 (0.59) CYP3A4HIF1AHSD17B10KDM4EIGF1R
SCHEMBL22578200 0.85 KAT8 (0.59) CYP3A4HIF1AHSD17B10KDM4EIGF1R
SCHEMBL178050 0.85 KAT8 (0.59) CYP3A4HIF1AHSD17B10KDM4EIGF1R
SCHEMBL1126261 0.83 TRPA1 (0.64) CNR1CNR2ADRA1AHIF1AHSD17B10
SCHEMBL19102586 0.82 ALOX5 (0.50) CNR1CNR2ALOX5HIF1ABACE1
SCHEMBL5212328 0.81 KDM4E (0.65) CNR1CNR2ALOX5CYP2D6DRD2
SCHEMBL30309851 0.80 CNR1 (0.72) CNR1CNR2ALOX5CYP3A4CYP2D6
SCHEMBL57143 0.80 CNR1 (0.72) CNR1CNR2ALOX5CYP3A4CYP2D6

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 CNR1 24/4885CNR2 35/4885ALOX5 583/4885

“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.