SCHEMBL5508804

SCHEMBL5508804

COC(=O)COc1cccc2c1CCC2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.54
RXRB P28702 9/20 0.54
RXRG P48443 6/20 0.54
MRGPRX4 Q96LA9 1/20 0.52
SSTR4 P31391 1/20 0.49
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PRMT5 O14744 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.44
PLA2G2A P14555 1/20 0.44

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
SCHEMBL8546134 0.97 RXRA (0.54) RXRARXRBRXRGMRGPRX4SSTR4
SCHEMBL2876699 0.83 RXRA (0.54) RXRARXRBRXRGMRGPRX4SMN1; SMN2
SCHEMBL13768229 0.82 RXRA (0.57) RXRARXRBRXRGMRGPRX4SSTR4
SCHEMBL3478697 0.82 RXRA (0.51) RXRARXRBRXRGMRGPRX4SSTR4
SCHEMBL7663445 0.82 MRGPRX4 (0.56) MRGPRX4SMN1; SMN2KDM4EPOLB
SCHEMBL9017314 0.81 MTNR1A (0.50)
SCHEMBL3479749 0.80 RXRB (0.66) RXRARXRBRXRGMRGPRX4KDM4E
SCHEMBL28548896 0.79 RXRB (0.64) RXRARXRBRXRGMRGPRX4KDM4E
SCHEMBL9017305 0.79 MTNR1A (0.48)
SCHEMBL6621347 0.78 MTNR1A (0.44) KDM4EPOLB

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 RXRA 68/4885RXRB 71/4885RXRG 39/4885
US-20050113440-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG RXRA 68/4885RXRB 71/4885RXRG 39/4885
US-20050153996-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION GPR119, PPARA, PPARG RXRA 68/4885RXRB 71/4885RXRG 39/4885

“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.