SCHEMBL566524

SCHEMBL566524

CC1(C)OCC(CCc2ccc(CCc3ccc(C(=O)c4ccc(F)cc4)cc3)cc2)(N(C(=O)O)C(C)(C)C)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
MCHR1 Q99705 2/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
PPARG P37231 1/20 0.32
RIPK1 Q13546 2/20 0.32
PTGER4 P35408 1/20 0.32
SLC6A4 P31645 1/20 0.31
ACHE P22303 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
TAS2R14 Q9NYV8 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL565645 0.73 RARB (0.34) LMNATP53SLC6A4ABCC9ABCC8
SCHEMBL566451 0.68 LMNA (0.39) ALDH1A1LMNAMAPTTAS2R14SMN1; SMN2
SCHEMBL30595204 0.64 TAAR1 (0.39) S1PR1
SCHEMBL11134877 0.63 S1PR1 (0.58) S1PR1ALDH1A1LMNAGAATDP1
SCHEMBL19866050 0.62 KMT2A (0.43) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL5535350 0.62 MAPT (0.40) ALDH1A1LMNATDP1MAPTTP53
SCHEMBL12243153 0.62 MAOB (0.64) S1PR1ALDH1A1LMNAGAATDP1
SCHEMBL564988 0.62 ALOX15 (0.36) LMNAPPARG
SCHEMBL566742 0.61 S1PR1 (1.00) S1PR1ALDH1A1LMNAGAATDP1
Hydrochloric Acid SCHEMBL565761 0.60 S1PR1 (0.97) S1PR1ALDH1A1LMNAGAATDP1

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 S1PR1 1/4885MCHR1 550/4885ALDH1A1 3045/4885

“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.