SCHEMBL2267113

SCHEMBL2267113

Cc1c[c]ccc1Oc1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
MRGPRX1 Q96LB2 1/20 0.39
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LTA4H P09960 1/20 0.35
PTGS2 P35354 1/20 0.35
HSD11B1 P28845 2/20 0.34
CYP3A4 P08684 1/20 0.34
ESRRA P11474 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32

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
SCHEMBL2262441 0.86 TDP1 (0.35) MEN1KMT2ARXRARXRBRXRG
SCHEMBL2269357 0.81 SMN1; SMN2 (0.47) ARMEN1KMT2ASLC6A2SLC6A4
SCHEMBL10902334 0.81 AR (0.53) ARMRGPRX1ADRA2AADRA2BADRA2C
SCHEMBL1685381 0.77 LTA4H (0.46) MRGPRX1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL8121975 0.77 AR (0.38) ARMRGPRX1MEN1KMT2ACYP3A4
SCHEMBL2265976 0.77 HTT (0.47) ARADRA2BMEN1KMT2ASLC6A2
SCHEMBL2265138 0.76 AR (0.45) ARMEN1KMT2ASLC6A2SLC6A4
SCHEMBL11048002 0.75 LTA4H (0.45) ARMRGPRX1ADRA2AADRA2BADRA2C
SCHEMBL919536 0.75 LTA4H (0.48) ARMRGPRX1HTR1ASLC6A2SLC6A4
SCHEMBL4008636 0.74 LTA4H (0.42) ARMRGPRX1HTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US claimed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP claimed
JP-2005536450-A 2005-12-02 JP claimed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO claimed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 AR 213/4885MRGPRX1 920/4885ADRA2A 159/4885

“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.