SCHEMBL565064

SCHEMBL565064

CCCCCCCCc1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.58
ESR2 Q92731 5/20 0.58
FAAH O00519 1/20 0.49
S1PR1 P21453 2/20 0.48
MOGAT2 Q3SYC2 4/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ABHD6 Q9BV23 2/20 0.42

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
SCHEMBL566403 0.93 FAAH (0.51) ESR1ESR2FAAHS1PR1MOGAT2
SCHEMBL3540135 0.79 ESR1 (0.53) ESR1ESR2ABHD6
SCHEMBL566294 0.79 ESR1 (0.53) ESR1ESR2HDAC8HDAC6ABHD6
SCHEMBL31173327 0.79 ESR2 (0.57) ESR1ESR2HDAC8HDAC6ABHD6
SCHEMBL14677183 0.78 ESR2 (0.59) ESR1ESR2HDAC8HDAC6ABHD6
SCHEMBL2333879 0.77 ESR1 (0.62) ESR1ESR2FAAHHDAC8HDAC6
SCHEMBL4728102 0.77 ESR1 (0.45) ESR1ESR2FAAHS1PR1HDAC8
SCHEMBL13650396 0.76 ESR1 (0.68) ESR1ESR2HDAC8HDAC6ABHD6
SCHEMBL22070855 0.76 ESR1 (0.68) ESR1ESR2HDAC8HDAC6ABHD6
SCHEMBL3060013 0.76 ESR1 (0.61) ESR1ESR2FAAHHDAC8HDAC6

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 ESR1 1004/4885ESR2 958/4885FAAH 710/4885

“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.