SCHEMBL564932

SCHEMBL564932

COc1cc(C#Cc2cccc(C#CC3(N(C(=O)O)C(C)(C)C)COC(C)(C)OC3)c2)cc(OC)c1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.33
ABCB1 P08183 2/20 0.31
FFAR1 O14842 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
PTGES O14684 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
NR1I2 O75469 1/20 0.30
CHRM2 P08172 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADRA2B P18089 1/20 0.30
SLC6A4 P31645 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL564868 0.75 APP (0.32)
SCHEMBL566052 0.75 ACACB (0.31)
SCHEMBL565747 0.73 PGR (0.37) LMNA
SCHEMBL565645 0.72 RARB (0.34) GRM5FFAR1LMNASMN1; SMN2SLC6A4
SCHEMBL566573 0.72 HDAC1 (0.46) SMN1; SMN2
SCHEMBL565801 0.70 TUBB4A (0.37) LMNAGAATSHRSMN1; SMN2NPSR1
SCHEMBL565870 0.65
SCHEMBL22158449 0.64 TUBB4A (0.52) GRM5TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9193701 0.61 ALOX5 (0.38) SMN1; SMN2PTGES
SCHEMBL4640416 0.59 ABCB1 (0.46) ABCB1GAAALDH1A1

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 GRM5 486/4885ABCB1 1208/4885FFAR1 129/4885

“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.