SCHEMBL3175607

SCHEMBL3175607

CCOC(=O)CCc1cccc(CCCO)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.65
CYP4A11 Q02928 5/20 0.65
PPARA Q07869 3/20 0.51
PPARG P37231 2/20 0.51
ALOX5 P09917 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
CYP4Z1 Q86W10 1/20 0.44
SYK P43405 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
APP P05067 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
SCHEMBL22070553 0.91 CYP4F2 (0.76) CYP4F2CYP4A11PPARAPPARGALOX5
SCHEMBL4425984 0.91 CYP4F2 (0.64) CYP4F2CYP4A11PPARAPPARGALOX5
SCHEMBL10725552 0.88 CYP4F2 (0.61) CYP4F2CYP4A11PPARAPPARGALOX5
SCHEMBL3168505 0.87 CYP4F2 (0.53) CYP4F2CYP4A11PPARAPPARGALOX5
SCHEMBL13104077 0.86 CYP4F2 (0.58) CYP4F2CYP4A11PPARAPPARGALOX5
SCHEMBL3175580 0.84 CYP4F2 (0.57) CYP4F2CYP4A11PPARAPPARGALOX5
SCHEMBL3159659 0.84 PPARA (0.60) CYP4F2CYP4A11PPARAPPARGTDP1
SCHEMBL19089798 0.84 CYP4F2 (0.61) CYP4F2CYP4A11PPARAPPARGALOX5
SCHEMBL10504954 0.83 CYP4F2 (0.55) CYP4F2CYP4A11PPARAPPARGALOX5
SCHEMBL2174850 0.83 CYP4F2 (0.55) CYP4F2CYP4A11PPARAPPARGALOX5

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 7 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
CN-101636386-A Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2010-01-27 CN 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 CYP4F2 4600/4885CYP4A11 3026/4885PPARA 1122/4885

“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.