SCHEMBL1779074

SCHEMBL1779074

[CH]=CCC1C=Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
HTR2A P28223 2/20 0.38
SIGMAR1 Q99720 6/20 0.35
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 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
SCHEMBL7762670 0.84 HTR6 (0.51) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL132480 0.84 HTR6 (0.51) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL11414399 0.81 HTR6 (0.46) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL629578 0.81 HTR6 (0.49) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL292407 0.81 HTR6 (0.49) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL1453509 0.79 HTR6 (0.58) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL7385660 0.78 HTR6 (0.46) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL7385663 0.78 HTR6 (0.46) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL11576712 0.78 HTR6 (0.50) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL7627841 0.78 HTR6 (0.46) HTR6HTR2ASIGMAR1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943612-B2 Compounds that modulate PPAR activity, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-05-17 US disclosed
US-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC 2009-02-19 US disclosed
EP-1999098-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE High Point Pharmaceuticals, LLC (US) 2008-12-10 EP disclosed
WO-2007101864-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2007-09-13 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-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE PPARD, PPARG, PPARA HTR6 1042/4885HTR2A 1327/4885SIGMAR1 1640/4885

“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.