SCHEMBL3159659

SCHEMBL3159659

CCOC(=O)CCCOc1cccc(CCCO)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.60
PPARG P37231 2/20 0.60
CYP4F2 P78329 2/20 0.56
CYP4A11 Q02928 2/20 0.56
CYSLTR2 Q9NS75 2/20 0.52
CYSLTR1 Q9Y271 2/20 0.52
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP2D6 P10635 3/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP13 P45452 1/20 0.50
FAAH O00519 1/20 0.49
BRD4 O60885 1/20 0.49
LTA4H P09960 1/20 0.47
PDK2 Q15119 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 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
SCHEMBL4572152 0.89 PPARA (0.59) PPARAPPARGCYSLTR2CYSLTR1MAPK1
SCHEMBL3159484 0.89 PPARA (0.59) PPARAPPARGCYSLTR2CYSLTR1MAPK1
SCHEMBL13140901 0.88 CYSLTR2 (0.55) PPARAPPARGCYP4F2CYP4A11CYSLTR2
SCHEMBL2137203 0.87 MAPK1 (0.66) PPARAPPARGCYSLTR2CYSLTR1MAPK1
SCHEMBL3179476 0.84 PPARA (0.55) PPARAPPARGCYSLTR2CYSLTR1MAPK1
SCHEMBL8279857 0.84 CYSLTR2 (0.54) PPARAPPARGCYSLTR2CYSLTR1MAPK1
SCHEMBL3175607 0.84 CYP4F2 (0.65) PPARAPPARGCYP4F2CYP4A11TDP1
Hydrochloric Acid SCHEMBL688914 0.83 CYSLTR2 (0.53) PPARAPPARGCYSLTR2CYSLTR1MAPK1
SCHEMBL9168060 0.83 PPARA (0.61) PPARAPPARGCYP4F2CYP4A11MAPK1
SCHEMBL9170539 0.82 PPARA (0.57) PPARAPPARGCYP4F2CYP4A11CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
CN-102442941-A Polycyclic acid compounds useful as crth2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2012-05-09 CN disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PPARA 1122/4885PPARG 1069/4885CYP4F2 4600/4885

“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.