SCHEMBL223867

SCHEMBL223867

CC(CCO)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A3 Q01959 4/20 0.44
LMNA P02545 4/20 0.44
CYP3A4 P08684 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
NPC1 O15118 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MTOR P42345 2/20 0.44
RAB9A P51151 2/20 0.44
KCNK2 O95069 2/20 0.44
KCNH2 Q12809 2/20 0.44
CACNA1C Q13936 2/20 0.44
HTR2C P28335 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL250952 1.00 SLC6A4 (0.44) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL250835 1.00 SLC6A4 (0.44) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL2090523 0.90 SLC7A5 (0.43) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL7018753 0.86 PPARG (0.45) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL11611228 0.83 SLC6A4 (0.44) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL11462470 0.81 SCN9A (0.46) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL15473214 0.80 SLC6A4 (0.44) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL2090520 0.80 SLC7A5 (0.43) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL18071748 0.79 SLC6A4 (0.43) SLC6A4MEN1KMT2ASLC6A2SLC6A3
SCHEMBL22809555 0.79 SLC6A4 (0.50) SLC6A4MEN1KMT2ASLC6A2SLC6A3

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-2590929-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2013-05-15 EP disclosed
WO-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 WO disclosed
WO-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 WO disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 US disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 US disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 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-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT HCAR1, HCAR3, CYP2C9 SLC6A4 1036/4885MEN1 2319/4885KMT2A 4243/4885

“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.