SCHEMBL3159555

SCHEMBL3159555

C[C@H](Oc1cccc(CCCCOS(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PPARA Q07869 5/20 0.45
PPARG P37231 4/20 0.45
PPARD Q03181 2/20 0.45
FFAR1 O14842 1/20 0.44
CYP2C9 P11712 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MGLL Q99685 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL3168464 0.96 PTGDR2 (0.50) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL3172723 0.96 PTGDR2 (0.50) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL5661786 0.83 L3MBTL1 (0.47) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL3165145 0.82 PTGDR2 (0.55) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL3164703 0.81 PPARA (0.67) PTGDR2PPARAPPARG
SCHEMBL4270869 0.81 CYP3A4 (0.44) PPARAPPARGHDAC1HDAC6MTNR1A
SCHEMBL3172516 0.81 PTGDR2 (0.54) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL3165356 0.80 PTGDR2 (0.56) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL3165037 0.80 PTGDR2 (0.56) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL3175392 0.79 PTGDR2 (0.55) PTGDR2ALDH1A1MAPTPPARAPPARG

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 PTGDR2 116/4885ALDH1A1 3727/4885MAPT 2720/4885

“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.