SCHEMBL566773

SCHEMBL566773

CC(C)Oc1ccc(CCC2(N(C(=O)O)C(C)(C)C)COC(C)(C)OC2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.35
S1PR1 P21453 1/20 0.34
RARA P10276 4/20 0.33
RARB P10826 4/20 0.33
RARG P13631 4/20 0.33
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
HSPD1 P10809 1/20 0.32
GOT1 P17174 1/20 0.32
GLRA1 P23415 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PLA2G4A P47712 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
CASP1 P29466 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
SCHEMBL566634 0.78 HDAC11 (0.35) HDAC11S1PR1RARARARBRARG
SCHEMBL565536 0.76 S1PR1 (0.34) S1PR1
SCHEMBL566910 0.76 HDAC11 (0.38) HDAC11S1PR1RARARARBRARG
SCHEMBL566242 0.70 HDAC11 (0.37) HDAC11S1PR1RARARARBRARG
SCHEMBL10139272 0.70 S1PR1 (0.39) HDAC11S1PR1RARARARBRARG
SCHEMBL565403 0.70 KDM4E (0.40) HDAC11S1PR1RARARARBRARG
Hydrochloric Acid SCHEMBL566087 0.70 S1PR1 (0.39) HDAC11S1PR1RARARARBRARG
SCHEMBL565412 0.69 POLB (0.45) HDAC11S1PR1LMNAPPARGPPARA
SCHEMBL566214 0.69 POLB (0.43) HDAC11S1PR1RARARARBRARG
SCHEMBL7691709 0.68 HDAC11 (0.42) HDAC11S1PR1RARARARBRARG

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 2 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

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 HDAC11 1612/4885S1PR1 1/4885RARA 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.