SCHEMBL323922

SCHEMBL323922

OCc1ccccc1C(O)c1cc(F)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
LMNA P02545 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
MAPT P10636 1/20 0.40
ELANE P08246 3/20 0.40
F2 P00734 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
SGMS2 Q8NHU3 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LRRK2 Q5S007 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL6216285 0.80 ELANE (0.53) LMNAL3MBTL1HTR1ADRD2MAPT
SCHEMBL18893982 0.77 SLC6A9 (0.46) SLC6A9SLC6A5LMNAL3MBTL1HTR1A
SCHEMBL2394733 0.77 L3MBTL1 (0.48) LMNAL3MBTL1HTR1ADRD2MAPT
SCHEMBL4810219 0.77 SLC6A9 (0.43) SLC6A9SLC6A5LMNAL3MBTL1HTR1A
SCHEMBL23210176 0.76 SLC6A9 (0.45) SLC6A9SLC6A5LMNAL3MBTL1MAPT
SCHEMBL29619704 0.76 SLC6A9 (0.45) SLC6A9SLC6A5LMNAL3MBTL1MAPT
SCHEMBL31357719 0.76 SLC6A9 (0.43) SLC6A9SLC6A5LMNAL3MBTL1MAPT
SCHEMBL2572231 0.76 FFAR1 (0.48) SLC6A9SLC6A5LMNAHTR1ADRD2
SCHEMBL2575339 0.75 SLC6A9 (0.60) SLC6A9SLC6A5LMNAL3MBTL1DRD2
SCHEMBL23212925 0.74 SLC6A9 (0.43) SLC6A9SLC6A5LMNAL3MBTL1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590944-B1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
CN-102958914-A 1-phenyl substituted heterocyclic derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD 2013-03-06 CN disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 SLC6A9 4632/4885SLC6A5 4752/4885LMNA 1608/4885

“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.