SCHEMBL565645

SCHEMBL565645

CC1(C)OCC(C#Cc2ccc(C#Cc3ccc(C(=O)c4ccc(F)cc4)cc3)cc2)(N(C(=O)O)C(C)(C)C)CO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.34
RARG P13631 3/20 0.34
RARA P10276 2/20 0.34
APP P05067 1/20 0.33
GRM5 P41594 1/20 0.33
HSD11B1 P28845 2/20 0.33
SLC6A4 P31645 1/20 0.31
FFAR1 O14842 1/20 0.31
CYP26A1 O43174 1/20 0.31
CYP3A4 P08684 1/20 0.31
CRABP2 P29373 1/20 0.31
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL566052 0.82 ACACB (0.31)
SCHEMBL564868 0.82 APP (0.32) APP
SCHEMBL566524 0.73 S1PR1 (0.43) SLC6A4ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL566381 0.70 TDP1 (0.41)
SCHEMBL7716924 0.68 LTA4H (0.57) APPFFAR1NPC1LMNATP53
SCHEMBL7717354 0.68 LTA4H (0.57) APPFFAR1NPC1LMNATP53
SCHEMBL7715045 0.68 LTA4H (0.57) APPFFAR1NPC1LMNATP53
SCHEMBL565870 0.67
SCHEMBL1746493 0.65 MMP2 (0.55) APPGRM5FFAR1LMNASMN1; SMN2
SCHEMBL3603052 0.62 LTA4H (0.50) APPFFAR1ABCC9ABCC8KCNJ11

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 RARB 3838/4885RARG 4003/4885RARA 4192/4885

“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.