SCHEMBL5511230

SCHEMBL5511230

COc1ccc(CO)cc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
AR P10275 1/20 0.47
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
MAOB P27338 4/20 0.45
FFAR2 O15552 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43
BCHE P06276 1/20 0.43
SMPD1 P17405 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL5514300 0.86 PPARD (0.46) PPARDPPARARXRARXRBRXRG
SCHEMBL8204937 0.83 RXRA (0.44) PPARDPPARARXRARXRBRXRG
SCHEMBL31361425 0.82 BCHE (0.60) NPC1POLBRAB9ARXRABCHE
SCHEMBL3239903 0.82 BCHE (0.60) NPC1POLBRAB9ARXRABCHE
SCHEMBL6489381 0.82 NPC1 (0.56) NPC1POLBRAB9AFFAR1FFAR4
SCHEMBL30889094 0.80 APP (0.63) NPC1RAB9ARXRAMAOBPTPN1
SCHEMBL8188015 0.79 AKR1C3 (0.56) ARRXRARXRBRXRG
SCHEMBL1332171 0.79 HTR2C (0.59) RXRARXRBRXRGMRGPRX4BCHE
SCHEMBL16797024 0.78 KDM4E (0.60) MAOB
SCHEMBL855955 0.78 MAOB (0.62) NPC1RAB9ARXRARXRBRXRG

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 NPC1 315/4885POLB 4181/4885RAB9A 2348/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG NPC1 315/4885POLB 4181/4885RAB9A 2348/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG NPC1 315/4885POLB 4181/4885RAB9A 2348/4885

“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.