SCHEMBL565403

SCHEMBL565403

CC(C)Oc1ccc(CCN)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
CSNK2A1 P68400 2/20 0.40
HDAC11 Q96DB2 1/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
S1PR1 P21453 1/20 0.37
LMNA P02545 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
APEX1 P27695 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
MAPK1 P28482 1/20 0.35
GLA P06280 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34

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
SCHEMBL566304 0.90 KDM4E (0.40) KDM4EATMCSNK2A1HDAC11TSHR
SCHEMBL566214 0.85 POLB (0.43) KDM4EATMHDAC11TSHRCYP1A2
SCHEMBL566216 0.85 HDAC11 (0.38) CSNK2A1HDAC11S1PR1TAAR1
SCHEMBL10139272 0.83 S1PR1 (0.39) HDAC11CYP3A4S1PR1LMNAMEN1
SCHEMBL7691709 0.82 HDAC11 (0.42) CSNK2A1HDAC11S1PR1LMNAMEN1
Hydrochloric Acid SCHEMBL566087 0.82 S1PR1 (0.39) HDAC11CYP3A4S1PR1LMNAMEN1
SCHEMBL566215 0.80 HDAC11 (0.38) CSNK2A1HDAC11S1PR1LMNAMEN1
SCHEMBL566953 0.78 HDAC11 (0.33) HDAC11CYP1A2CYP3A4S1PR1LMNA
SCHEMBL8651198 0.77 HDAC11 (0.39) CSNK2A1HDAC11S1PR1LMNAMEN1
SCHEMBL565412 0.77 POLB (0.45) HDAC11S1PR1LMNAALDH1A1SMN1; SMN2

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 KDM4E 1701/4885ATM 3271/4885CSNK2A1 3191/4885

“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.