SCHEMBL3165145

SCHEMBL3165145

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.55
CYP4F2 P78329 3/20 0.52
CYP4A11 Q02928 3/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
PPARA Q07869 8/20 0.49
PPARG P37231 7/20 0.49
PPARD Q03181 2/20 0.47
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL3165356 0.96 PTGDR2 (0.56) PTGDR2CYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL3165037 0.96 PTGDR2 (0.56) PTGDR2CYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL3172516 0.87 PTGDR2 (0.54) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL27850003 0.86 CYP4F2 (0.57) PTGDR2CYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL3174375 0.86 PTGDR2 (0.55) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL3175392 0.86 PTGDR2 (0.55) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL29484243 0.84 PTGDR2 (0.52) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL28593565 0.84 PTGDR2 (0.52) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL2939051 0.83 CYP2C9 (0.51) PTGDR2ALDH1A1MAPTPPARAPPARG
SCHEMBL4297086 0.83 CYP2C9 (0.51) 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 116/4885CYP4F2 4600/4885CYP4A11 3026/4885

“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.