SCHEMBL5606773

SCHEMBL5606773

COC(Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-].COC(Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-].[Sr+2]

nearest known ligand 0.65

Known targets — ChEMBL curated mechanism

ATP4AATP4B

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.65
PPARG P37231 8/20 0.65
PPARD Q03181 4/20 0.62
LTA4H P09960 2/20 0.55
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
MAOB P27338 2/20 0.53
LAP3 P28838 1/20 0.51
ALOX5 P09917 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50

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
SCHEMBL5607448 0.97 PPARA (0.65) PPARAPPARGPPARDLTA4HFFAR1
SCHEMBL5607773 0.97 PPARA (0.65) PPARAPPARGPPARDLTA4HFFAR1
SCHEMBL5606263 0.97 PPARA (0.65) PPARAPPARGPPARDLTA4HFFAR1
SCHEMBL5607104 0.97 PPARA (0.65) PPARAPPARGPPARDLTA4HFFAR1
Lithium Ion SCHEMBL5606728 0.97 PPARA (0.65) PPARAPPARGPPARDLTA4HFFAR1
SCHEMBL5607216 0.97 PPARA (0.65) PPARAPPARGPPARDLTA4HFFAR1
SCHEMBL5607551 0.97 PPARA (0.65) PPARAPPARGPPARDLTA4HFFAR1
Potassium Ion SCHEMBL5607420 0.97 PPARA (0.65) PPARAPPARGPPARDLTA4HFFAR1
SCHEMBL5606873 0.90 PPARA (0.57) PPARAPPARGPPARDLTA4HFFAR1
SCHEMBL5606931 0.90 PPARA (0.74) PPARAPPARGPPARDLTA4HFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
EP-1687250-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS Takasago International Corporation (JP) 2006-08-09 EP disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 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-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids ALDH1A2, ALDH1A3, GRHPR PPARA 472/4885PPARG 1052/4885PPARD 783/4885

“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.