SCHEMBL223516

SCHEMBL223516

CC(Br)Oc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
PPARG P37231 2/20 0.46
P2RX7 Q99572 1/20 0.43
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
TRPA1 O75762 1/20 0.36
HSD11B1 P28845 1/20 0.36
AR P10275 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
IDO1 P14902 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
SCHEMBL105728 0.84 ADRA2A (0.53) ADRA2AADRA2BADRA2CPPARGP2RX7
SCHEMBL17911629 0.79 KMT2A (0.42) ADRA2AADRA2BADRA2CALDH1A1TDP1
SCHEMBL8743526 0.78 ADRA2A (0.48) ADRA2AADRA2BADRA2CPPARGP2RX7
SCHEMBL16095022 0.77 ADRA2A (0.47) ADRA2AADRA2BADRA2CPPARGSLC6A4
SCHEMBL14227152 0.77 ADRA2A (0.47) ADRA2AADRA2BADRA2CPPARGP2RX7
SCHEMBL9780575 0.75 PPARG (0.60) ADRA2AADRA2BADRA2CPPARGALDH1A1
SCHEMBL9780582 0.75 PPARG (0.60) ADRA2AADRA2BADRA2CPPARGALDH1A1
SCHEMBL4074998 0.75 ADRA2A (0.46) ADRA2AADRA2BADRA2CPPARGSLC6A4
SCHEMBL27852563 0.75 ADRA2A (0.46) ADRA2AADRA2BADRA2CPPARGP2RX7
SCHEMBL17203323 0.74 ADRA2A (0.44) ADRA2AADRA2BADRA2CPPARGP2RX7

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 3 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
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 ADRA2A 563/4885ADRA2B 495/4885ADRA2C 510/4885

“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.