SCHEMBL1327010

SCHEMBL1327010

CCOc1cc(-c2c(CC)cccc2CC)nc(C)c1COc1cccc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.47
NR4A2 P43354 5/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.45
PPARD Q03181 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR1H4 Q96RI1 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
VDR P11473 1/20 0.44
NR4A1 P22736 2/20 0.42
NR4A3 Q92570 2/20 0.42

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
SCHEMBL1327243 0.90 PPARG (0.47) PPARGKMT2APPARDMRGPRX4PKM
SCHEMBL1328338 0.81 C5AR1 (0.41) KMT2ATP53
SCHEMBL1327995 0.80 C5AR1 (0.40)
SCHEMBL1327287 0.79 BRD4 (0.39) KMT2ATP53SMN1; SMN2CYSLTR1
SCHEMBL1330008 0.79 C5AR1 (0.44)
SCHEMBL1327672 0.79 C5AR1 (0.39) PPARGKMT2ATP53SMN1; SMN2GPBAR1
SCHEMBL1327363 0.77 C5AR1 (0.40)
SCHEMBL1328747 0.77 C5AR1 (0.46) VDR
SCHEMBL1329109 0.77 C5AR1 (0.41) KMT2APPARD
SCHEMBL1327956 0.76 ALDH1A1 (0.53) PPARGNPC1KMT2APPARDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 PPARG 1440/4885NR4A2 304/4885NPC1 3535/4885

“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.