SCHEMBL3159484

SCHEMBL3159484

CCOC(=O)CCCOc1cccc(CCCI)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.59
PPARG P37231 2/20 0.59
CYSLTR2 Q9NS75 2/20 0.51
CYSLTR1 Q9Y271 2/20 0.51
FAAH O00519 1/20 0.51
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MMP13 P45452 1/20 0.49
CYP2D6 P10635 4/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BRD4 O60885 1/20 0.48
LTA4H P09960 1/20 0.46
PDK2 Q15119 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL3159659 0.89 PPARA (0.60) PPARAPPARGCYSLTR2CYSLTR1FAAH
SCHEMBL4572152 0.88 PPARA (0.59) PPARAPPARGCYSLTR2CYSLTR1FAAH
SCHEMBL2137203 0.85 MAPK1 (0.66) PPARAPPARGCYSLTR2CYSLTR1FAAH
SCHEMBL13140901 0.84 CYSLTR2 (0.55) PPARAPPARGCYSLTR2CYSLTR1FAAH
SCHEMBL3168505 0.84 CYP4F2 (0.53) PPARAPPARGTDP1
SCHEMBL3179476 0.83 PPARA (0.55) PPARAPPARGCYSLTR2CYSLTR1FAAH
SCHEMBL8279857 0.83 CYSLTR2 (0.54) PPARAPPARGCYSLTR2CYSLTR1FAAH
SCHEMBL17284886 0.82 PPARA (0.81) PPARAPPARGMAPK1L3MBTL1CYP2D6
Hydrochloric Acid SCHEMBL688914 0.82 CYSLTR2 (0.53) PPARAPPARGCYSLTR2CYSLTR1FAAH
SCHEMBL3168986 0.82 CYP2D6 (0.48) PPARAPPARGCYP2D6CNR1CNR2

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 5 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
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 1069/4885CYSLTR2 13/4885

“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.