SCHEMBL3166349

SCHEMBL3166349

O=C(O)COc1cccc(OCCCO)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
PLA2G4B P0C869 2/20 0.61
ALOX15 P16050 1/20 0.58
PTPN7 P35236 1/20 0.53
PPARG P37231 3/20 0.52
PPARA Q07869 2/20 0.52
PPARD Q03181 3/20 0.50
MAPK1 P28482 1/20 0.50
FFAR1 O14842 1/20 0.50
DHFR P00374 2/20 0.49
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48

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
SCHEMBL4679183 0.91 LMNA (0.67) LMNAPLA2G4BALOX15PTPN7PPARG
SCHEMBL413254 0.87 LMNA (0.81) LMNAPLA2G4BALOX15PTPN7PPARG
SCHEMBL715593 0.85 ALDH1A1 (0.54)
SCHEMBL5434776 0.85 PLA2G4B (0.81) LMNAPLA2G4BALOX15PTPN7PPARG
SCHEMBL3159400 0.85 LMNA (0.63) LMNAPLA2G4BALOX15PTPN7PPARG
SCHEMBL3169110 0.82 PPARA (0.72) LMNAALOX15PTPN7PPARGPPARA
SCHEMBL3165108 0.81 PPARA (0.74) LMNAALOX15PPARGPPARAFFAR1
SCHEMBL17284878 0.80 PPARA (0.77) LMNAPLA2G4BALOX15PPARGPPARA
SCHEMBL8928374 0.79 PRSS1 (0.53)
SCHEMBL15063356 0.79 LMNA (0.74) LMNAPLA2G4BALOX15PTPN7PPARG

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-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

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 LMNA 4586/4885PLA2G4B 2379/4885ALOX15 154/4885

“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.