SCHEMBL5510152

SCHEMBL5510152

CC(C)(C)c1ccc(COc2ccc(CO)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.70
NR4A2 P43354 2/20 0.67
RXRA P19793 1/20 0.67
RXRB P28702 1/20 0.67
NR4A1 P22736 1/20 0.52
NR4A3 Q92570 1/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MAOB P27338 5/20 0.49
PTPRC P08575 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPRB P23467 1/20 0.49
PTPN6 P29350 1/20 0.49
CDC25A P30304 1/20 0.49
PTPN11 Q06124 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
EPHX2 P34913 2/20 0.47

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
SCHEMBL26581151 1.00 APP (0.70) APPNR4A2RXRARXRBNR4A1
SCHEMBL22275947 0.91 APP (0.82) APPNR4A2RXRARXRBNR4A1
SCHEMBL27783728 0.86 APP (0.66) APPNR4A2RXRARXRBNR4A1
SCHEMBL1702727 0.85 APP (0.74) APPNR4A2RXRARXRBNR4A1
SCHEMBL13929695 0.84 APP (0.72) APPNR4A2RXRARXRBNR4A1
SCHEMBL13439792 0.84 APP (0.72) APPNR4A2RXRARXRBRAB9A
SCHEMBL13761551 0.84 APP (0.72) APPNR4A2RXRARXRBNR4A1
SCHEMBL26057873 0.83 LTA4H (0.59) APPNR4A2RXRARXRBRAB9A
SCHEMBL113722 0.82 EPHX2 (0.61) APPEPHX2LMNANR1H4
SCHEMBL23266153 0.82 APP (0.70) APPNR4A2RXRARXRBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-6964983-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY, LLC (US) 2005-11-15 US disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 US disclosed
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION AUERBACH BRUCE J (US) 2005-07-14 US disclosed
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation AUERBACH BRUCE J (US) 2005-05-26 US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 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 (3 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-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG APP 2383/4885NR4A2 651/4885RXRA 68/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG APP 2383/4885NR4A2 651/4885RXRA 68/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG APP 2383/4885NR4A2 651/4885RXRA 68/4885

“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.