SCHEMBL9998521

SCHEMBL9998521

CCCOc1ccc(COc2ccc(CN3CC(C(=O)O)C3)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.82
S1PR5 Q9H228 17/20 0.55
HTR2A P28223 1/20 0.55
KCNH2 Q12809 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
S1PR3 Q99500 4/20 0.53
PDGFRA P16234 2/20 0.50
LTK P29376 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
ROCK1 Q13464 1/20 0.47

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
SCHEMBL9998210 0.90 S1PR1 (1.00) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL178072 0.82 S1PR1 (0.84) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL3041770 0.78 S1PR5 (0.85) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL12038134 0.76 S1PR1 (0.76) S1PR1S1PR5
SCHEMBL3031896 0.73 S1PR5 (0.95) S1PR1S1PR5S1PR3
SCHEMBL6570369 0.73 S1PR1 (0.71) S1PR1
SCHEMBL3038019 0.72 S1PR5 (1.00) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL3028338 0.71 S1PR5 (0.81) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL3043562 0.71 S1PR5 (1.00) S1PR1S1PR5S1PR3
SCHEMBL3039290 0.71 S1PR5 (0.77) S1PR1S1PR5HTR2AKCNH2SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US claimed

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-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR5 2/4885HTR2A 736/4885

“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.