SCHEMBL3174339

SCHEMBL3174339

O=C(O)COc1cccc(-c2cccc(CO)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
PLA2G10 O15496 1/20 0.53
PLA2G2A P14555 1/20 0.53
PPARD Q03181 4/20 0.53
FFAR1 O14842 3/20 0.53
ALOX15 P16050 1/20 0.53
PPARG P37231 2/20 0.52
PPARA Q07869 1/20 0.52
FABP4 P15090 2/20 0.52
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PLAU P00749 1/20 0.51
ACMSD Q8TDX5 1/20 0.50
NR4A2 P43354 1/20 0.50
CFD P00746 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
PTPN7 P35236 1/20 0.49

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
SCHEMBL4465276 0.90 LMNA (0.62) LMNAPLA2G10PLA2G2AFFAR1ALOX15
SCHEMBL3172714 0.86 LMNA (0.54) LMNAPLA2G10PLA2G2APPARDFFAR1
SCHEMBL420401 0.85 ALOX15 (0.68) LMNAPLA2G10PLA2G2APPARDFFAR1
SCHEMBL7028743 0.81 PPARA (0.60) PPARDFFAR1PPARGPPARATSHR
SCHEMBL18165300 0.79 FFAR1 (0.67) FFAR1TSHRSMN1; SMN2NR4A2MRGPRX4
SCHEMBL3169425 0.79 FFAR1 (0.55) LMNAPLA2G10PLA2G2APPARDFFAR1
SCHEMBL413254 0.79 LMNA (0.81) LMNAFFAR1ALOX15PPARGPPARA
SCHEMBL2441116 0.78 LMNA (0.55) LMNAPLA2G10PLA2G2APPARDFFAR1
SCHEMBL13777297 0.78 TSHR (0.58) LMNAPPARDFFAR1ALOX15PPARG
SCHEMBL7418117 0.78 PPARA (0.67) LMNAFFAR1ALOX15PPARGPPARA

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 4586/4885PLA2G10 1549/4885PLA2G2A 1638/4885

“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.