SCHEMBL323831

SCHEMBL323831

OCCOc1ncccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RECQL P46063 1/20 0.42
SLC6A2 P23975 1/20 0.42
IDO1 P14902 1/20 0.42
HSD17B10 Q99714 2/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
MMP2 P08253 1/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39
COMT P21964 1/20 0.39
ADRA1A P35348 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL12754891 0.82 KDM4E (0.45) ALDH1A1L3MBTL1HSD17B10KDM4EHPGD
SCHEMBL13063918 0.78 SLC6A2 (0.41) ALDH1A1L3MBTL1RECQLSLC6A2IDO1
SCHEMBL20224823 0.78 SLC6A2 (0.44) ALDH1A1RECQLSLC6A2ALOX5APFEN1
SCHEMBL2368539 0.78 ALOX5AP (0.45) ALDH1A1RECQLSLC6A2ALOX5APFEN1
SCHEMBL323830 0.78 SLC6A2 (0.41) ALDH1A1L3MBTL1RECQLSLC6A2ALOX5AP
SCHEMBL12135760 0.78 APP (0.45) ALDH1A1L3MBTL1RECQLSLC6A2HSD17B10
SCHEMBL239263 0.78 CHRNB2 (0.50) ALDH1A1L3MBTL1HSD17B10HTTGRM4
SCHEMBL28311734 0.78 KDM4E (0.49) ALDH1A1KDM4ETSHRLMNANPC1
SCHEMBL238514 0.78 ALDH1A1 (0.49) ALDH1A1L3MBTL1HSD17B10KDM4EHPGD
SCHEMBL10514419 0.76 ALDH1A1 (0.46) ALDH1A1L3MBTL1RECQLSLC6A2IDO1

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 ALDH1A1 2057/4885L3MBTL1 4628/4885RECQL 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.