SCHEMBL323830

SCHEMBL323830

[O]c1cccnc1OCCO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.41
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MKNK2 Q9HBH9 1/20 0.37
GAA P10253 2/20 0.37
PDE5A O76074 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.35
ACSS2 Q9NR19 1/20 0.35

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
SCHEMBL323831 0.78 ALDH1A1 (0.48) SLC6A2ALDH1A1RECQLALOX5APFEN1
SCHEMBL13063918 0.77 SLC6A2 (0.41) SLC6A2ALDH1A1RECQLALOX5APFEN1
SCHEMBL20224823 0.77 SLC6A2 (0.44) SLC6A2ALDH1A1RECQLALOX5APFEN1
SCHEMBL2368539 0.77 ALOX5AP (0.45) SLC6A2ALDH1A1RECQLALOX5APFEN1
SCHEMBL12135760 0.77 APP (0.45) SLC6A2ALDH1A1RECQLALOX5APFEN1
SCHEMBL6302948 0.77 RAB9A (0.55) ALDH1A1L3MBTL1MKNK2NPC1HPGD
SCHEMBL13715738 0.77 SLC6A2 (0.44) SLC6A2ALDH1A1RECQLALOX5APFEN1
SCHEMBL12290249 0.77 ALDH1A1 (0.39) SLC6A2ALDH1A1RECQLALOX5APFEN1
SCHEMBL12667240 0.74 MEN1 (0.41) SLC6A2ALDH1A1RECQLALOX5APFEN1
SCHEMBL2368431 0.74 ALDH1A1 (0.56) ALDH1A1RECQLL3MBTL1GAANPC1

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 5 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
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 SLC6A2 4591/4885ALDH1A1 2057/4885RECQL 724/4885

“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.